sodium 2-[(Z)-but-2-enoyl]-1-methyl-isoquinoline-1-carbonitrile

Systemtic Name: sodium 2-[(Z)-but-2-enoyl]-1-methyl-isoquinoline-1-carbonitrile Openeye Name: sodium 2-[(Z)-but-2-enoyl]-1-methyl-isoquinoline-1-carbonitrile CAS Name: sodium 1-methyl-2-[(Z)-1-oxobut-2-enyl]-1-isoquinolinecarbonitrile IUPAC Name: sodium 2-[(Z)-but-2-enoyl]-1-methylisoquinoline-1-carbonitrile Traditional Name: sodium 2-[(Z)-but-2-enoyl]-1-methyl-isoquinoline-1-carbonitrile Formula: C15H13N2NaO MolecularWeight: 260.26629

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC=CC=C2C=CN1C(=O)C=C[CH2-])C#N.[Na+]

Isomeric SMILES

CC1(C2=CC=CC=C2C=CN1C(=O)/C=C\[CH2-])C#N.[Na+]

InChI

InChI=1S/C15H13N2O.Na/c1-3-6-14(18)17-10-9-12-7-4-5-8-13(12)15(17,2)11-16;/h3-10H,1H2,2H3;/q-1;+1/b6-3-;