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3-{[3-(1H-benzotriazol-1-yl)-1,4-dioxo-1,4-dihydronaphthalen-2-yl]amino}phenyl 4-nitrobenzoate

Catalog ID
STL334458
SMILES O=C(c1ccc(cc1)[N+](=O)[O-])Oc1cccc(c1)NC1=C(C(=O)c2c(C1=O)cccc2)n1nnc2c1cccc2

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Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C29H17N5O6 MW 531.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H17N5O6/c35-27-21-8-1-2-9-22(21)28(36)26(33-24-11-4-3-10-23(24)31-32-33)25(27)30-18-6-5-7-20(16-18)40-29(37)17-12-14-19(15-13-17)34(38)39/h1-16,30H
InChIKey
WFPVCIZGPOWUGB-UHFFFAOYSA-N
Synonyms
488855-06-7
(3((3(BENZOTRIAZOL1YL)14BIS(OXIDANYLIDENE)NAPHTHALEN2YL)AMINO)PHENYL)4NITROBENZOATE
(3((3(BENZOTRIAZOL1YL)14DIOXONAPHTHALEN2YL)AMINO)PHENYL)4NITROBENZOATE
3((3(1Hbenzo(d)(123)triazol1yl)14dioxo14dihydronaphthalen2yl)amino)phenyl4nitrobenzoate
3((3(1Hbenzotriazol1yl)14dioxo14dihydronaphthalen2yl)amino)phenyl4nitrobenzoate
488855067
4NITROBENZOICACID(3((3(1BENZOTRIAZOLYL)14DIOXO2NAPHTHALENYL)AMINO)PHENYL)ESTER
4NITROBENZOICACID(3((3(BENZOTRIAZOL1YL)14DIKETO2NAPHTHYL)AMINO)PHENYL)ESTER
4NITROBENZOICACID3(3BENZOTRIAZOL1YL14DIOXO14DIHYDRONAPHTHALEN2YLAMINO)PHENYLESTER
C1=CC=C2C(=C1)C(=O)C(=C(C2=O)N3C4=CC=CC=C4N=N3)NC5=CC(=CC=C5)OC(=O)C6=CC=C(C=C6)(N+)(=O)(O)
InChI=1SC29H17N5O6c352721812922(21)28(36)26(332411431023(24)313233)25(27)301865720(1618)4029(37)17121419(151317)34(38)39h11630H
MFCD03294931
O=C(c1ccc(cc1)(N+)(=O)(O))Oc1cccc(c1)NC1=C(C(=O)c2c(C1=O)cccc2)n1nnc2c1cccc2
ZINC000100518902
ZINC100518902

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Available files

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