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

Systemtic Name: sodium (1Z)-1-(1-cyano-1-methyl-isoquinolin-2-yl)buta-1,3-dien-1-olate Openeye Name: sodium (1Z)-1-(1-cyano-1-methyl-2-isoquinolyl)buta-1,3-dien-1-olate CAS Name: sodium (1Z)-1-(1-cyano-1-methyl-2-isoquinolinyl)-1-buta-1,3-dienolate IUPAC Name: sodium (1Z)-1-(1-cyano-1-methylisoquinolin-2-yl)buta-1,3-dien-1-olate Traditional Name: sodium (1Z)-1-(1-cyano-1-methyl-2-isoquinolyl)buta-1,3-dien-1-olate Formula: C15H13N2NaO MolecularWeight: 260.26629

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC=CC=C2C=CN1C(=CC=C)[O-])C#N.[Na+]

Isomeric SMILES

CC1(C2=CC=CC=C2C=CN1/C(=C/C=C)/[O-])C#N.[Na+]

InChI

InChI=1S/C15H14N2O.Na/c1-3-6-14(18)17-10-9-12-7-4-5-8-13(12)15(17,2)11-16;/h3-10,18H,1H2,2H3;/q;+1/p-1/b14-6-;