sodium 3-cyano-1-isoquinolin-1-yl-but-1-en-1-olate

Systemtic Name: sodium 3-cyano-1-isoquinolin-1-yl-but-1-en-1-olate Openeye Name: sodium 3-cyano-1-(1-isoquinolyl)but-1-en-1-olate CAS Name: sodium 3-cyano-1-(1-isoquinolinyl)-1-buten-1-olate IUPAC Name: sodium 3-cyano-1-isoquinolin-1-ylbut-1-en-1-olate Traditional Name: sodium 3-cyano-1-(1-isoquinolyl)but-1-en-1-olate Formula: C14H11N2NaO MolecularWeight: 246.23971

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Descriptors Computed from Structure

Canonical SMILES:

CC(C=C(C1=NC=CC2=CC=CC=C21)[O-])C#N.[Na+]

Isomeric SMILES

CC(C=C(C1=NC=CC2=CC=CC=C21)[O-])C#N.[Na+]

InChI

InChI=1S/C14H12N2O.Na/c1-10(9-15)8-13(17)14-12-5-3-2-4-11(12)6-7-16-14;/h2-8,10,17H,1H3;/q;+1/p-1