[1-[(2-methyl-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3H-benzimidazole-5-carboxylate

Systemtic Name: [1-[(2-methyl-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3H-benzimidazole-5-carboxylate Openeye Name: [1-methyl-2-(2-methyl-5-nitro-anilino)-2-oxo-ethyl] 3H-benzimidazole-5-carboxylate CAS Name: 3H-benzimidazole-5-carboxylic acid [1-(2-methyl-5-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-methyl-5-nitroanilino)-1-oxopropan-2-yl] 3H-benzimidazole-5-carboxylate Traditional Name: 3H-benzimidazole-5-carboxylic acid [2-keto-1-methyl-2-(2-methyl-5-nitro-anilino)ethyl] ester Formula: C18H16N4O5 MolecularWeight: 368.34344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C(C)OC(=O)C2=CC3=C(C=C2)N=CN3

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C(C)OC(=O)C2=CC3=C(C=C2)N=CN3

InChI

InChI=1S/C18H16N4O5/c1-10-3-5-13(22(25)26)8-15(10)21-17(23)11(2)27-18(24)12-4-6-14-16(7-12)20-9-19-14/h3-9,11H,1-2H3,(H,19,20)(H,21,23)