4-(5-azanyl-2-chloranyl-phenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid

Systemtic Name: 4-(5-azanyl-2-chloranyl-phenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid Openeye Name: 4-(5-amino-2-chloro-phenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid CAS Name: 4-(5-amino-2-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid IUPAC Name: 4-(5-amino-2-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid Traditional Name: 4-(5-amino-2-chloro-phenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid Formula: C15H15ClN2O4 MolecularWeight: 322.7436

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)C(=O)O)C2=C(C=CC(=C2)N)Cl)C(=O)O

Isomeric SMILES

CC1=C(C(C(=C(N1)C)C(=O)O)C2=C(C=CC(=C2)N)Cl)C(=O)O

InChI

InChI=1S/C15H15ClN2O4/c1-6-11(14(19)20)13(12(15(21)22)7(2)18-6)9-5-8(17)3-4-10(9)16/h3-5,13,18H,17H2,1-2H3,(H,19,20)(H,21,22)