[1-[(2-methoxy-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(benzimidazol-1-yl)ethanoate

Systemtic Name: [1-[(2-methoxy-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(benzimidazol-1-yl)ethanoate Openeye Name: [2-(2-methoxy-5-nitro-anilino)-1-methyl-2-oxo-ethyl] 2-(benzimidazol-1-yl)acetate CAS Name: 2-(1-benzimidazolyl)acetic acid [1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl] 2-(benzimidazol-1-yl)acetate Traditional Name: 2-(benzimidazol-1-yl)acetic acid [2-keto-2-(2-methoxy-5-nitro-anilino)-1-methyl-ethyl] ester Formula: C19H18N4O6 MolecularWeight: 398.36942

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC)OC(=O)CN2C=NC3=CC=CC=C32

Isomeric SMILES

CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC)OC(=O)CN2C=NC3=CC=CC=C32

InChI

InChI=1S/C19H18N4O6/c1-12(19(25)21-15-9-13(23(26)27)7-8-17(15)28-2)29-18(24)10-22-11-20-14-5-3-4-6-16(14)22/h3-9,11-12H,10H2,1-2H3,(H,21,25)