4-[2-chloranyl-6-(3-nitrophenyl)phenyl]-2-methyl-1,4-dihydropyridine-3,5-dicarboxylic acid

Systemtic Name: 4-[2-chloranyl-6-(3-nitrophenyl)phenyl]-2-methyl-1,4-dihydropyridine-3,5-dicarboxylic acid Openeye Name: 4-[2-chloro-6-(3-nitrophenyl)phenyl]-2-methyl-1,4-dihydropyridine-3,5-dicarboxylic acid CAS Name: 4-[2-chloro-6-(3-nitrophenyl)phenyl]-2-methyl-1,4-dihydropyridine-3,5-dicarboxylic acid IUPAC Name: 4-[2-chloro-6-(3-nitrophenyl)phenyl]-2-methyl-1,4-dihydropyridine-3,5-dicarboxylic acid Traditional Name: 4-[2-chloro-6-(3-nitrophenyl)phenyl]-2-methyl-1,4-dihydropyridine-3,5-dicarboxylic acid Formula: C20H15ClN2O6 MolecularWeight: 414.7959

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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