[2-[(4-ethoxy-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-(2-ethylbenzimidazol-1-yl)ethanoate

Systemtic Name: [2-[(4-ethoxy-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-(2-ethylbenzimidazol-1-yl)ethanoate Openeye Name: [2-(4-ethoxy-2-nitro-anilino)-2-oxo-ethyl] 2-(2-ethylbenzimidazol-1-yl)acetate CAS Name: 2-(2-ethyl-1-benzimidazolyl)acetic acid [2-(4-ethoxy-2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-ethoxy-2-nitroanilino)-2-oxoethyl] 2-(2-ethylbenzimidazol-1-yl)acetate Traditional Name: 2-(2-ethylbenzimidazol-1-yl)acetic acid [2-(4-ethoxy-2-nitro-anilino)-2-keto-ethyl] ester Formula: C21H22N4O6 MolecularWeight: 426.42258

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CC=CC=C2N1CC(=O)OCC(=O)NC3=C(C=C(C=C3)OCC)[N+](=O)[O-]

Isomeric SMILES

CCC1=NC2=CC=CC=C2N1CC(=O)OCC(=O)NC3=C(C=C(C=C3)OCC)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O6/c1-3-19-22-15-7-5-6-8-17(15)24(19)12-21(27)31-13-20(26)23-16-10-9-14(30-4-2)11-18(16)25(28)29/h5-11H,3-4,12-13H2,1-2H3,(H,23,26)