[2-[(4,5-dimethyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-(benzimidazol-1-yl)ethanoate

Systemtic Name: [2-[(4,5-dimethyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-(benzimidazol-1-yl)ethanoate Openeye Name: [2-(4,5-dimethyl-2-nitro-anilino)-2-oxo-ethyl] 2-(benzimidazol-1-yl)acetate CAS Name: 2-(1-benzimidazolyl)acetic acid [2-(4,5-dimethyl-2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4,5-dimethyl-2-nitroanilino)-2-oxoethyl] 2-(benzimidazol-1-yl)acetate Traditional Name: 2-(benzimidazol-1-yl)acetic acid [2-(4,5-dimethyl-2-nitro-anilino)-2-keto-ethyl] ester Formula: C19H18N4O5 MolecularWeight: 382.37002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=O)COC(=O)CN2C=NC3=CC=CC=C32

Isomeric SMILES

CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=O)COC(=O)CN2C=NC3=CC=CC=C32

InChI

InChI=1S/C19H18N4O5/c1-12-7-15(17(23(26)27)8-13(12)2)21-18(24)10-28-19(25)9-22-11-20-14-5-3-4-6-16(14)22/h3-8,11H,9-10H2,1-2H3,(H,21,24)