methyl 5-(1H-benzimidazol-2-yl)-6-chloranyl-2-methyl-4-(2-nitrophenyl)pyridine-3-carboxylate

Systemtic Name: methyl 5-(1H-benzimidazol-2-yl)-6-chloranyl-2-methyl-4-(2-nitrophenyl)pyridine-3-carboxylate Openeye Name: methyl 5-(1H-benzimidazol-2-yl)-6-chloro-2-methyl-4-(2-nitrophenyl)pyridine-3-carboxylate CAS Name: 5-(1H-benzimidazol-2-yl)-6-chloro-2-methyl-4-(2-nitrophenyl)-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 5-(1H-benzimidazol-2-yl)-6-chloro-2-methyl-4-(2-nitrophenyl)pyridine-3-carboxylate Traditional Name: 5-(1H-benzimidazol-2-yl)-6-chloro-2-methyl-4-(2-nitrophenyl)nicotinic acid methyl ester Formula: C21H15ClN4O4 MolecularWeight: 422.8212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=N1)Cl)C2=NC3=CC=CC=C3N2)C4=CC=CC=C4[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=C(C(=C(C(=N1)Cl)C2=NC3=CC=CC=C3N2)C4=CC=CC=C4[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C21H15ClN4O4/c1-11-16(21(27)30-2)17(12-7-3-6-10-15(12)26(28)29)18(19(22)23-11)20-24-13-8-4-5-9-14(13)25-20/h3-10H,1-2H3,(H,24,25)