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

Systemtic Name: [2-[(4,5-dimethyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-(2-methylbenzimidazol-1-yl)ethanoate Openeye Name: [2-(4,5-dimethyl-2-nitro-anilino)-2-oxo-ethyl] 2-(2-methylbenzimidazol-1-yl)acetate CAS Name: 2-(2-methyl-1-benzimidazolyl)acetic acid [2-(4,5-dimethyl-2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4,5-dimethyl-2-nitroanilino)-2-oxoethyl] 2-(2-methylbenzimidazol-1-yl)acetate Traditional Name: 2-(2-methylbenzimidazol-1-yl)acetic acid [2-(4,5-dimethyl-2-nitro-anilino)-2-keto-ethyl] ester Formula: C20H20N4O5 MolecularWeight: 396.3966

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C20H20N4O5/c1-12-8-16(18(24(27)28)9-13(12)2)22-19(25)11-29-20(26)10-23-14(3)21-15-6-4-5-7-17(15)23/h4-9H,10-11H2,1-3H3,(H,22,25)