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

Systemtic Name: 3-[2-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-oxidanylidene-ethoxy]benzenecarbonitrile Openeye Name: 3-[2-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethoxy]benzonitrile CAS Name: 3-[2-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)-2-oxoethoxy]benzonitrile IUPAC Name: 3-[2-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-oxoethoxy]benzonitrile Traditional Name: 3-[2-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethoxy]benzonitrile Formula: C18H18N2O2 MolecularWeight: 294.34772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC=C)C)C(=O)COC2=CC=CC(=C2)C#N

Isomeric SMILES

CC1=CC(=C(N1CC=C)C)C(=O)COC2=CC=CC(=C2)C#N

InChI

InChI=1S/C18H18N2O2/c1-4-8-20-13(2)9-17(14(20)3)18(21)12-22-16-7-5-6-15(10-16)11-19/h4-7,9-10H,1,8,12H2,2-3H3