2-(3,5-dicyano-2,6-dimethyl-1,4-dihydropyridin-4-yl)benzoic acid

Systemtic Name: 2-(3,5-dicyano-2,6-dimethyl-1,4-dihydropyridin-4-yl)benzoic acid Openeye Name: 2-(3,5-dicyano-2,6-dimethyl-1,4-dihydropyridin-4-yl)benzoic acid CAS Name: 2-(3,5-dicyano-2,6-dimethyl-1,4-dihydropyridin-4-yl)benzoic acid IUPAC Name: 2-(3,5-dicyano-2,6-dimethyl-1,4-dihydropyridin-4-yl)benzoic acid Traditional Name: 2-(3,5-dicyano-2,6-dimethyl-1,4-dihydropyridin-4-yl)benzoic acid Formula: C16H13N3O2 MolecularWeight: 279.29332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)C#N)C2=CC=CC=C2C(=O)O)C#N

Isomeric SMILES

CC1=C(C(C(=C(N1)C)C#N)C2=CC=CC=C2C(=O)O)C#N

InChI

InChI=1S/C16H13N3O2/c1-9-13(7-17)15(14(8-18)10(2)19-9)11-5-3-4-6-12(11)16(20)21/h3-6,15,19H,1-2H3,(H,20,21)