[2-[(3,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 4-(benzotriazol-1-yl)-3-nitro-benzoate

Systemtic Name: [2-[(3,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 4-(benzotriazol-1-yl)-3-nitro-benzoate Openeye Name: [2-(3,4-dimethylanilino)-2-oxo-ethyl] 4-(benzotriazol-1-yl)-3-nitro-benzoate CAS Name: 4-(1-benzotriazolyl)-3-nitrobenzoic acid [2-(3,4-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethylanilino)-2-oxoethyl] 4-(benzotriazol-1-yl)-3-nitrobenzoate Traditional Name: 4-(benzotriazol-1-yl)-3-nitro-benzoic acid [2-(3,4-dimethylanilino)-2-keto-ethyl] ester Formula: C23H19N5O5 MolecularWeight: 445.42746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)COC(=O)C2=CC(=C(C=C2)N3C4=CC=CC=C4N=N3)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)COC(=O)C2=CC(=C(C=C2)N3C4=CC=CC=C4N=N3)[N+](=O)[O-])C

InChI

InChI=1S/C23H19N5O5/c1-14-7-9-17(11-15(14)2)24-22(29)13-33-23(30)16-8-10-20(21(12-16)28(31)32)27-19-6-4-3-5-18(19)25-26-27/h3-12H,13H2,1-2H3,(H,24,29)