4-(3-chloranyl-2-cyano-phenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: 4-(3-chloranyl-2-cyano-phenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: 4-(3-chloro-2-cyano-phenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 4-(3-chloro-2-cyanophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate IUPAC Name: 4-(3-chloro-2-cyanophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 4-(3-chloro-2-cyano-phenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate Formula: C16H11ClN2O4-2 MolecularWeight: 330.72254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)C(=O)[O-])C2=C(C(=CC=C2)Cl)C#N)C(=O)[O-]

Isomeric SMILES

CC1=C(C(C(=C(N1)C)C(=O)[O-])C2=C(C(=CC=C2)Cl)C#N)C(=O)[O-]

InChI

InChI=1S/C16H13ClN2O4/c1-7-12(15(20)21)14(13(16(22)23)8(2)19-7)9-4-3-5-11(17)10(9)6-18/h3-5,14,19H,1-2H3,(H,20,21)(H,22,23)/p-2