4-[2-chloranyl-6-(3-nitrophenyl)phenyl]-2-methyl-1H-pyridine-3,4-dicarboxylic acid

Systemtic Name: 4-[2-chloranyl-6-(3-nitrophenyl)phenyl]-2-methyl-1H-pyridine-3,4-dicarboxylic acid Openeye Name: 4-[2-chloro-6-(3-nitrophenyl)phenyl]-2-methyl-1H-pyridine-3,4-dicarboxylic acid CAS Name: 4-[2-chloro-6-(3-nitrophenyl)phenyl]-2-methyl-1H-pyridine-3,4-dicarboxylic acid IUPAC Name: 4-[2-chloro-6-(3-nitrophenyl)phenyl]-2-methyl-1H-pyridine-3,4-dicarboxylic acid Traditional Name: 4-[2-chloro-6-(3-nitrophenyl)phenyl]-2-methyl-1H-pyridine-3,4-dicarboxylic acid Formula: C20H15ClN2O6 MolecularWeight: 414.7959

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C=CN1)(C2=C(C=CC=C2Cl)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)O)C(=O)O

Isomeric SMILES

CC1=C(C(C=CN1)(C2=C(C=CC=C2Cl)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)O)C(=O)O

InChI

InChI=1S/C20H15ClN2O6/c1-11-16(18(24)25)20(19(26)27,8-9-22-11)17-14(6-3-7-15(17)21)12-4-2-5-13(10-12)23(28)29/h2-10,22H,1H3,(H,24,25)(H,26,27)