3-[3-(2-chloranylethanoyl)-2,5-dimethyl-pyrrol-1-yl]benzenecarbonitrile

Systemtic Name: 3-[3-(2-chloranylethanoyl)-2,5-dimethyl-pyrrol-1-yl]benzenecarbonitrile Openeye Name: 3-[3-(2-chloroacetyl)-2,5-dimethyl-pyrrol-1-yl]benzonitrile CAS Name: 3-[3-(2-chloro-1-oxoethyl)-2,5-dimethyl-1-pyrrolyl]benzonitrile IUPAC Name: 3-[3-(2-chloroacetyl)-2,5-dimethylpyrrol-1-yl]benzonitrile Traditional Name: 3-[3-(2-chloroacetyl)-2,5-dimethyl-pyrrol-1-yl]benzonitrile Formula: C15H13ClN2O MolecularWeight: 272.72952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC(=C2)C#N)C)C(=O)CCl

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC(=C2)C#N)C)C(=O)CCl

InChI

InChI=1S/C15H13ClN2O/c1-10-6-14(15(19)8-16)11(2)18(10)13-5-3-4-12(7-13)9-17/h3-7H,8H2,1-2H3