4-[(E)-2-cyano-3-(1-methylpyrrol-2-yl)-3-oxidanylidene-prop-1-enyl]benzenecarbonitrile

Systemtic Name: 4-[(E)-2-cyano-3-(1-methylpyrrol-2-yl)-3-oxidanylidene-prop-1-enyl]benzenecarbonitrile Openeye Name: 4-[(E)-2-cyano-3-(1-methylpyrrol-2-yl)-3-oxo-prop-1-enyl]benzonitrile CAS Name: 4-[(E)-2-cyano-3-(1-methyl-2-pyrrolyl)-3-oxoprop-1-enyl]benzonitrile IUPAC Name: 4-[(E)-2-cyano-3-(1-methylpyrrol-2-yl)-3-oxoprop-1-enyl]benzonitrile Traditional Name: 4-[(E)-2-cyano-3-keto-3-(1-methylpyrrol-2-yl)prop-1-enyl]benzonitrile Formula: C16H11N3O MolecularWeight: 261.27804

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C(=O)C(=CC2=CC=C(C=C2)C#N)C#N

Isomeric SMILES

CN1C=CC=C1C(=O)/C(=C/C2=CC=C(C=C2)C#N)/C#N

InChI

InChI=1S/C16H11N3O/c1-19-8-2-3-15(19)16(20)14(11-18)9-12-4-6-13(10-17)7-5-12/h2-9H,1H3/b14-9+