sodium 4-(2-chloranyl-3,4-dimethoxy-phenyl)-5-cyano-6-(cyanoamino)-3,4-dihydropyridin-2-olate

Systemtic Name: sodium 4-(2-chloranyl-3,4-dimethoxy-phenyl)-5-cyano-6-(cyanoamino)-3,4-dihydropyridin-2-olate Openeye Name: sodium 4-(2-chloro-3,4-dimethoxy-phenyl)-5-cyano-6-(cyanoamino)-3,4-dihydropyridin-2-olate CAS Name: sodium 4-(2-chloro-3,4-dimethoxyphenyl)-5-cyano-6-(cyanoamino)-3,4-dihydropyridin-2-olate IUPAC Name: sodium 4-(2-chloro-3,4-dimethoxyphenyl)-5-cyano-6-(cyanoamino)-3,4-dihydropyridin-2-olate Traditional Name: sodium 4-(2-chloro-3,4-dimethoxy-phenyl)-5-cyano-6-(cyanoamino)-3,4-dihydropyridin-2-olate Formula: C15H12ClN4NaO3 MolecularWeight: 354.72355

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C2CC(=NC(=C2C#N)NC#N)[O-])Cl)OC.[Na+]

Isomeric SMILES

COC1=C(C(=C(C=C1)C2CC(=NC(=C2C#N)NC#N)[O-])Cl)OC.[Na+]

InChI

InChI=1S/C15H13ClN4O3.Na/c1-22-11-4-3-8(13(16)14(11)23-2)9-5-12(21)20-15(19-7-18)10(9)6-17;/h3-4,9,19H,5H2,1-2H3,(H,20,21);/q;+1/p-1