(E)-3-[4-(2-chloranylethanoyl)-1H-pyrrol-2-yl]-2-(phenylcarbonyl)prop-2-enenitrile

Systemtic Name: (E)-3-[4-(2-chloranylethanoyl)-1H-pyrrol-2-yl]-2-(phenylcarbonyl)prop-2-enenitrile Openeye Name: (E)-2-benzoyl-3-[4-(2-chloroacetyl)-1H-pyrrol-2-yl]prop-2-enenitrile CAS Name: (E)-2-benzoyl-3-[4-(2-chloro-1-oxoethyl)-1H-pyrrol-2-yl]-2-propenenitrile IUPAC Name: (E)-2-benzoyl-3-[4-(2-chloroacetyl)-1H-pyrrol-2-yl]prop-2-enenitrile Traditional Name: (E)-2-benzoyl-3-[4-(2-chloroacetyl)-1H-pyrrol-2-yl]acrylonitrile Formula: C16H11ClN2O2 MolecularWeight: 298.72374

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C(=CC2=CC(=CN2)C(=O)CCl)C#N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)/C(=C/C2=CC(=CN2)C(=O)CCl)/C#N

InChI

InChI=1S/C16H11ClN2O2/c17-8-15(20)13-7-14(19-10-13)6-12(9-18)16(21)11-4-2-1-3-5-11/h1-7,10,19H,8H2/b12-6+