methyl 3-(1H-benzimidazol-2-ylcarbamoyl)-5-nitro-benzoate

Systemtic Name: methyl 3-(1H-benzimidazol-2-ylcarbamoyl)-5-nitro-benzoate Openeye Name: methyl 3-(1H-benzimidazol-2-ylcarbamoyl)-5-nitro-benzoate CAS Name: 3-[(1H-benzimidazol-2-ylamino)-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-(1H-benzimidazol-2-ylcarbamoyl)-5-nitrobenzoate Traditional Name: 3-(1H-benzimidazol-2-ylcarbamoyl)-5-nitro-benzoic acid methyl ester Formula: C16H12N4O5 MolecularWeight: 340.29028

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C(=O)NC2=NC3=CC=CC=C3N2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C(=O)NC2=NC3=CC=CC=C3N2)[N+](=O)[O-]

InChI

InChI=1S/C16H12N4O5/c1-25-15(22)10-6-9(7-11(8-10)20(23)24)14(21)19-16-17-12-4-2-3-5-13(12)18-16/h2-8H,1H3,(H2,17,18,19,21)