[1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(2-ethylbenzimidazol-1-yl)ethanoate

Systemtic Name: [1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(2-ethylbenzimidazol-1-yl)ethanoate Openeye Name: [1-methyl-2-(3-nitroanilino)-2-oxo-ethyl] 2-(2-ethylbenzimidazol-1-yl)acetate CAS Name: 2-(2-ethyl-1-benzimidazolyl)acetic acid [1-(3-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-nitroanilino)-1-oxopropan-2-yl] 2-(2-ethylbenzimidazol-1-yl)acetate Traditional Name: 2-(2-ethylbenzimidazol-1-yl)acetic acid [2-keto-1-methyl-2-(3-nitroanilino)ethyl] ester Formula: C20H20N4O5 MolecularWeight: 396.3966

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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