methyl 3-nitro-5-[(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)carbamoyl]benzoate

Systemtic Name: methyl 3-nitro-5-[(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)carbamoyl]benzoate Openeye Name: methyl 3-nitro-5-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)carbamoyl]benzoate CAS Name: 3-nitro-5-[oxo-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-nitro-5-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)carbamoyl]benzoate Traditional Name: 3-[(2-keto-1,3-dihydrobenzimidazol-5-yl)carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C16H12N4O6 MolecularWeight: 356.28968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C(=O)NC2=CC3=C(C=C2)NC(=O)N3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C(=O)NC2=CC3=C(C=C2)NC(=O)N3)[N+](=O)[O-]

InChI

InChI=1S/C16H12N4O6/c1-26-15(22)9-4-8(5-11(6-9)20(24)25)14(21)17-10-2-3-12-13(7-10)19-16(23)18-12/h2-7H,1H3,(H,17,21)(H2,18,19,23)