methyl 3-(5,6-dimethylbenzimidazol-1-yl)carbonyl-5-nitro-benzoate

Systemtic Name: methyl 3-(5,6-dimethylbenzimidazol-1-yl)carbonyl-5-nitro-benzoate Openeye Name: methyl 3-(5,6-dimethylbenzimidazole-1-carbonyl)-5-nitro-benzoate CAS Name: 3-[(5,6-dimethyl-1-benzimidazolyl)-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-(5,6-dimethylbenzimidazole-1-carbonyl)-5-nitrobenzoate Traditional Name: 3-(5,6-dimethylbenzimidazole-1-carbonyl)-5-nitro-benzoic acid methyl ester Formula: C18H15N3O5 MolecularWeight: 353.3288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)N(C=N2)C(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=CC2=C(C=C1C)N(C=N2)C(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C18H15N3O5/c1-10-4-15-16(5-11(10)2)20(9-19-15)17(22)12-6-13(18(23)26-3)8-14(7-12)21(24)25/h4-9H,1-3H3