3-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-3-oxidanylidene-propanenitrile

Systemtic Name: 3-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-3-oxidanylidene-propanenitrile Openeye Name: 3-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-3-oxo-propanenitrile CAS Name: 3-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)-3-oxopropanenitrile IUPAC Name: 3-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-3-oxopropanenitrile Traditional Name: 3-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-3-keto-propionitrile Formula: C12H14N2O MolecularWeight: 202.25236

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N2O/c1-4-7-14-9(2)8-11(10(14)3)12(15)5-6-13/h4,8H,1,5,7H2,2-3H3