4-[(E)-2-cyano-3-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-3-oxidanylidene-prop-1-enyl]benzenecarbonitrile

Systemtic Name: 4-[(E)-2-cyano-3-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-3-oxidanylidene-prop-1-enyl]benzenecarbonitrile Openeye Name: 4-[(E)-3-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-cyano-3-oxo-prop-1-enyl]benzonitrile CAS Name: 4-[(E)-2-cyano-3-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)-3-oxoprop-1-enyl]benzonitrile IUPAC Name: 4-[(E)-2-cyano-3-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-3-oxoprop-1-enyl]benzonitrile Traditional Name: 4-[(E)-3-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-cyano-3-keto-prop-1-enyl]benzonitrile Formula: C20H17N3O MolecularWeight: 315.36848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC=C)C)C(=O)C(=CC2=CC=C(C=C2)C#N)C#N

Isomeric SMILES

CC1=CC(=C(N1CC=C)C)C(=O)/C(=C/C2=CC=C(C=C2)C#N)/C#N

InChI

InChI=1S/C20H17N3O/c1-4-9-23-14(2)10-19(15(23)3)20(24)18(13-22)11-16-5-7-17(12-21)8-6-16/h4-8,10-11H,1,9H2,2-3H3/b18-11+