[2-[(2-methyl-6-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-(2-ethylbenzimidazol-1-yl)ethanoate

Systemtic Name: [2-[(2-methyl-6-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-(2-ethylbenzimidazol-1-yl)ethanoate Openeye Name: [2-(2-methyl-6-nitro-anilino)-2-oxo-ethyl] 2-(2-ethylbenzimidazol-1-yl)acetate CAS Name: 2-(2-ethyl-1-benzimidazolyl)acetic acid [2-(2-methyl-6-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-6-nitroanilino)-2-oxoethyl] 2-(2-ethylbenzimidazol-1-yl)acetate Traditional Name: 2-(2-ethylbenzimidazol-1-yl)acetic acid [2-keto-2-(2-methyl-6-nitro-anilino)ethyl] ester Formula: C20H20N4O5 MolecularWeight: 396.3966

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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