sodium 2-[(E)-3-phenylprop-2-enoyl]isoquinolin-1-ide-1-carbonitrile

Systemtic Name: sodium 2-[(E)-3-phenylprop-2-enoyl]isoquinolin-1-ide-1-carbonitrile Openeye Name: sodium 2-[(E)-3-phenylprop-2-enoyl]isoquinolin-1-ide-1-carbonitrile CAS Name: sodium 2-[(E)-1-oxo-3-phenylprop-2-enyl]-1-isoquinolin-1-idecarbonitrile IUPAC Name: sodium 2-[(E)-3-phenylprop-2-enoyl]isoquinolin-1-ide-1-carbonitrile Traditional Name: sodium 2-[(E)-3-phenylacryloyl]isoquinolin-1-ide-1-carbonitrile Formula: C19H13N2NaO MolecularWeight: 308.30909

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=CC(=O)N2C=CC3=CC=CC=C3[C-]2C#N.[Na+]

Isomeric SMILES

C1=CC=C(C=C1)/C=C/C(=O)N2C=CC3=CC=CC=C3[C-]2C#N.[Na+]

InChI

InChI=1S/C19H13N2O.Na/c20-14-18-17-9-5-4-8-16(17)12-13-21(18)19(22)11-10-15-6-2-1-3-7-15;/h1-13H;/q-1;+1/b11-10+;