sodium 2-(3-methylbut-2-enoyl)isoquinolin-1-ide-1-carbonitrile

Systemtic Name: sodium 2-(3-methylbut-2-enoyl)isoquinolin-1-ide-1-carbonitrile Openeye Name: sodium 2-(3-methylbut-2-enoyl)isoquinolin-1-ide-1-carbonitrile CAS Name: sodium 2-(3-methyl-1-oxobut-2-enyl)-1-isoquinolin-1-idecarbonitrile IUPAC Name: sodium 2-(3-methylbut-2-enoyl)isoquinolin-1-ide-1-carbonitrile Traditional Name: sodium 2-(3-methylbut-2-enoyl)isoquinolin-1-ide-1-carbonitrile Formula: C15H13N2NaO MolecularWeight: 260.26629

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)N1C=CC2=CC=CC=C2[C-]1C#N)C.[Na+]

Isomeric SMILES

CC(=CC(=O)N1C=CC2=CC=CC=C2[C-]1C#N)C.[Na+]

InChI

InChI=1S/C15H13N2O.Na/c1-11(2)9-15(18)17-8-7-12-5-3-4-6-13(12)14(17)10-16;/h3-9H,1-2H3;/q-1;+1