sodium (1Z)-1-(1-cyano-1-methyl-isoquinolin-2-yl)-3-methyl-buta-1,3-dien-1-olate

Systemtic Name: sodium (1Z)-1-(1-cyano-1-methyl-isoquinolin-2-yl)-3-methyl-buta-1,3-dien-1-olate Openeye Name: sodium (1Z)-1-(1-cyano-1-methyl-2-isoquinolyl)-3-methyl-buta-1,3-dien-1-olate CAS Name: sodium (1Z)-1-(1-cyano-1-methyl-2-isoquinolinyl)-3-methyl-1-buta-1,3-dienolate IUPAC Name: sodium (1Z)-1-(1-cyano-1-methylisoquinolin-2-yl)-3-methylbuta-1,3-dien-1-olate Traditional Name: sodium (1Z)-1-(1-cyano-1-methyl-2-isoquinolyl)-3-methyl-buta-1,3-dien-1-olate Formula: C16H15N2NaO MolecularWeight: 274.29287

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C=C(N1C=CC2=CC=CC=C2C1(C)C#N)[O-].[Na+]

Isomeric SMILES

CC(=C)/C=C(/N1C=CC2=CC=CC=C2C1(C)C#N)\[O-].[Na+]

InChI

InChI=1S/C16H16N2O.Na/c1-12(2)10-15(19)18-9-8-13-6-4-5-7-14(13)16(18,3)11-17;/h4-10,19H,1H2,2-3H3;/q;+1/p-1/b15-10-;