[1-[(2-methyl-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(1H-benzimidazol-2-yl)benzoate

Systemtic Name: [1-[(2-methyl-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(1H-benzimidazol-2-yl)benzoate Openeye Name: [1-methyl-2-(2-methyl-5-nitro-anilino)-2-oxo-ethyl] 2-(1H-benzimidazol-2-yl)benzoate CAS Name: 2-(1H-benzimidazol-2-yl)benzoic acid [1-(2-methyl-5-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-methyl-5-nitroanilino)-1-oxopropan-2-yl] 2-(1H-benzimidazol-2-yl)benzoate Traditional Name: 2-(1H-benzimidazol-2-yl)benzoic acid [2-keto-1-methyl-2-(2-methyl-5-nitro-anilino)ethyl] ester Formula: C24H20N4O5 MolecularWeight: 444.4394

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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=CC=CC=C2C3=NC4=CC=CC=C4N3

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C(C)OC(=O)C2=CC=CC=C2C3=NC4=CC=CC=C4N3

InChI

InChI=1S/C24H20N4O5/c1-14-11-12-16(28(31)32)13-21(14)27-23(29)15(2)33-24(30)18-8-4-3-7-17(18)22-25-19-9-5-6-10-20(19)26-22/h3-13,15H,1-2H3,(H,25,26)(H,27,29)