sodium 2-[(E)-but-2-enoyl]isoquinolin-1-ide-1-carbonitrile

Systemtic Name: sodium 2-[(E)-but-2-enoyl]isoquinolin-1-ide-1-carbonitrile Openeye Name: sodium 2-[(E)-but-2-enoyl]isoquinolin-1-ide-1-carbonitrile CAS Name: sodium 2-[(E)-1-oxobut-2-enyl]-1-isoquinolin-1-idecarbonitrile IUPAC Name: sodium 2-[(E)-but-2-enoyl]isoquinolin-1-ide-1-carbonitrile Traditional Name: sodium 2-[(E)-but-2-enoyl]isoquinolin-1-ide-1-carbonitrile Formula: C14H11N2NaO MolecularWeight: 246.23971

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H11N2O.Na/c1-2-5-14(17)16-9-8-11-6-3-4-7-12(11)13(16)10-15;/h2-9H,1H3;/q-1;+1/b5-2+;