[2-[(4-ethoxy-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-(3-methyl-2-oxidanylidene-benzimidazol-1-yl)propanoate

Systemtic Name: [2-[(4-ethoxy-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-(3-methyl-2-oxidanylidene-benzimidazol-1-yl)propanoate Openeye Name: [2-(4-ethoxy-2-nitro-anilino)-2-oxo-ethyl] 3-(3-methyl-2-oxo-benzimidazol-1-yl)propanoate CAS Name: 3-(3-methyl-2-oxo-1-benzimidazolyl)propanoic acid [2-(4-ethoxy-2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-ethoxy-2-nitroanilino)-2-oxoethyl] 3-(3-methyl-2-oxobenzimidazol-1-yl)propanoate Traditional Name: 3-(2-keto-3-methyl-benzimidazol-1-yl)propionic acid [2-(4-ethoxy-2-nitro-anilino)-2-keto-ethyl] ester Formula: C21H22N4O7 MolecularWeight: 442.42198

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)NC(=O)COC(=O)CCN2C3=CC=CC=C3N(C2=O)C)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC(=C(C=C1)NC(=O)COC(=O)CCN2C3=CC=CC=C3N(C2=O)C)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O7/c1-3-31-14-8-9-15(18(12-14)25(29)30)22-19(26)13-32-20(27)10-11-24-17-7-5-4-6-16(17)23(2)21(24)28/h4-9,12H,3,10-11,13H2,1-2H3,(H,22,26)