3-[1-[(2-chlorophenyl)methyl]-2,5-dimethyl-pyrrol-3-yl]-3-oxidanylidene-propanenitrile

Systemtic Name: 3-[1-[(2-chlorophenyl)methyl]-2,5-dimethyl-pyrrol-3-yl]-3-oxidanylidene-propanenitrile Openeye Name: 3-[1-[(2-chlorophenyl)methyl]-2,5-dimethyl-pyrrol-3-yl]-3-oxo-propanenitrile CAS Name: 3-[1-[(2-chlorophenyl)methyl]-2,5-dimethyl-3-pyrrolyl]-3-oxopropanenitrile IUPAC Name: 3-[1-[(2-chlorophenyl)methyl]-2,5-dimethylpyrrol-3-yl]-3-oxopropanenitrile Traditional Name: 3-[1-(2-chlorobenzyl)-2,5-dimethyl-pyrrol-3-yl]-3-keto-propionitrile Formula: C16H15ClN2O MolecularWeight: 286.7561

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CC=C2Cl)C)C(=O)CC#N

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CC=C2Cl)C)C(=O)CC#N

InChI

InChI=1S/C16H15ClN2O/c1-11-9-14(16(20)7-8-18)12(2)19(11)10-13-5-3-4-6-15(13)17/h3-6,9H,7,10H2,1-2H3