4-(2-cyanophenyl)-6-ethyl-1,4-dihydropyridine-2,3,5-tricarboxylic acid

Systemtic Name: 4-(2-cyanophenyl)-6-ethyl-1,4-dihydropyridine-2,3,5-tricarboxylic acid Openeye Name: 4-(2-cyanophenyl)-6-ethyl-1,4-dihydropyridine-2,3,5-tricarboxylic acid CAS Name: 4-(2-cyanophenyl)-6-ethyl-1,4-dihydropyridine-2,3,5-tricarboxylic acid IUPAC Name: 4-(2-cyanophenyl)-6-ethyl-1,4-dihydropyridine-2,3,5-tricarboxylic acid Traditional Name: 4-(2-cyanophenyl)-6-ethyl-1,4-dihydropyridine-2,3,5-tricarboxylic acid Formula: C17H14N2O6 MolecularWeight: 342.30286

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(C(=C(N1)C(=O)O)C(=O)O)C2=CC=CC=C2C#N)C(=O)O

Isomeric SMILES

CCC1=C(C(C(=C(N1)C(=O)O)C(=O)O)C2=CC=CC=C2C#N)C(=O)O

InChI

InChI=1S/C17H14N2O6/c1-2-10-12(15(20)21)11(9-6-4-3-5-8(9)7-18)13(16(22)23)14(19-10)17(24)25/h3-6,11,19H,2H2,1H3,(H,20,21)(H,22,23)(H,24,25)