methyl 3-[(2-chloranyl-4-nitro-phenyl)methyl]-2-methyl-imidazo[4,5-b]pyridine-5-carboxylate

Systemtic Name: methyl 3-[(2-chloranyl-4-nitro-phenyl)methyl]-2-methyl-imidazo[4,5-b]pyridine-5-carboxylate Openeye Name: methyl 3-[(2-chloro-4-nitro-phenyl)methyl]-2-methyl-imidazo[4,5-b]pyridine-5-carboxylate CAS Name: 3-[(2-chloro-4-nitrophenyl)methyl]-2-methyl-5-imidazo[4,5-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 3-[(2-chloro-4-nitrophenyl)methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylate Traditional Name: 3-(2-chloro-4-nitro-benzyl)-2-methyl-imidazo[4,5-b]pyridine-5-carboxylic acid methyl ester Formula: C16H13ClN4O4 MolecularWeight: 360.75182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1CC3=C(C=C(C=C3)[N+](=O)[O-])Cl)N=C(C=C2)C(=O)OC

Isomeric SMILES

CC1=NC2=C(N1CC3=C(C=C(C=C3)[N+](=O)[O-])Cl)N=C(C=C2)C(=O)OC

InChI

InChI=1S/C16H13ClN4O4/c1-9-18-13-5-6-14(16(22)25-2)19-15(13)20(9)8-10-3-4-11(21(23)24)7-12(10)17/h3-7H,8H2,1-2H3