3-[1-(3,4-dimethylphenyl)-2,5-dimethyl-pyrrol-3-yl]-3-oxidanylidene-propanenitrile

Systemtic Name: 3-[1-(3,4-dimethylphenyl)-2,5-dimethyl-pyrrol-3-yl]-3-oxidanylidene-propanenitrile Openeye Name: 3-[1-(3,4-dimethylphenyl)-2,5-dimethyl-pyrrol-3-yl]-3-oxo-propanenitrile CAS Name: 3-[1-(3,4-dimethylphenyl)-2,5-dimethyl-3-pyrrolyl]-3-oxopropanenitrile IUPAC Name: 3-[1-(3,4-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]-3-oxopropanenitrile Traditional Name: 3-[1-(3,4-dimethylphenyl)-2,5-dimethyl-pyrrol-3-yl]-3-keto-propionitrile Formula: C17H18N2O MolecularWeight: 266.33762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=CC(=C2C)C(=O)CC#N)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=CC(=C2C)C(=O)CC#N)C)C

InChI

InChI=1S/C17H18N2O/c1-11-5-6-15(9-12(11)2)19-13(3)10-16(14(19)4)17(20)7-8-18/h5-6,9-10H,7H2,1-4H3