3-[(2-chloranyl-4-nitro-phenyl)methyl]-2,7-dimethyl-imidazo[4,5-b]pyridine-5-carboxylic acid

Systemtic Name: 3-[(2-chloranyl-4-nitro-phenyl)methyl]-2,7-dimethyl-imidazo[4,5-b]pyridine-5-carboxylic acid Openeye Name: 3-[(2-chloro-4-nitro-phenyl)methyl]-2,7-dimethyl-imidazo[4,5-b]pyridine-5-carboxylic acid CAS Name: 3-[(2-chloro-4-nitrophenyl)methyl]-2,7-dimethyl-5-imidazo[4,5-b]pyridinecarboxylic acid IUPAC Name: 3-[(2-chloro-4-nitrophenyl)methyl]-2,7-dimethylimidazo[4,5-b]pyridine-5-carboxylic acid Traditional Name: 3-(2-chloro-4-nitro-benzyl)-2,7-dimethyl-imidazo[4,5-b]pyridine-5-carboxylic acid Formula: C16H13ClN4O4 MolecularWeight: 360.75182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1N=C(N2CC3=C(C=C(C=C3)[N+](=O)[O-])Cl)C)C(=O)O

Isomeric SMILES

CC1=CC(=NC2=C1N=C(N2CC3=C(C=C(C=C3)[N+](=O)[O-])Cl)C)C(=O)O

InChI

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