methyl 3-(2-methylbenzimidazol-1-yl)carbonyl-5-nitro-benzoate

Systemtic Name: methyl 3-(2-methylbenzimidazol-1-yl)carbonyl-5-nitro-benzoate Openeye Name: methyl 3-(2-methylbenzimidazole-1-carbonyl)-5-nitro-benzoate CAS Name: 3-[(2-methyl-1-benzimidazolyl)-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-(2-methylbenzimidazole-1-carbonyl)-5-nitrobenzoate Traditional Name: 3-(2-methylbenzimidazole-1-carbonyl)-5-nitro-benzoic acid methyl ester Formula: C17H13N3O5 MolecularWeight: 339.30222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2N1C(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=NC2=CC=CC=C2N1C(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C17H13N3O5/c1-10-18-14-5-3-4-6-15(14)19(10)16(21)11-7-12(17(22)25-2)9-13(8-11)20(23)24/h3-9H,1-2H3