(E)-2-(4-chlorophenyl)carbonyl-3-(propan-2-ylamino)prop-2-enenitrile

Systemtic Name: (E)-2-(4-chlorophenyl)carbonyl-3-(propan-2-ylamino)prop-2-enenitrile Openeye Name: (E)-2-(4-chlorobenzoyl)-3-(isopropylamino)prop-2-enenitrile CAS Name: (E)-2-[(4-chlorophenyl)-oxomethyl]-3-(propan-2-ylamino)-2-propenenitrile IUPAC Name: (E)-2-(4-chlorobenzoyl)-3-(propan-2-ylamino)prop-2-enenitrile Traditional Name: (E)-2-(4-chlorobenzoyl)-3-(isopropylamino)acrylonitrile Formula: C13H13ClN2O MolecularWeight: 248.70812

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC=C(C#N)C(=O)C1=CC=C(C=C1)Cl

Isomeric SMILES

CC(C)N/C=C(\C#N)/C(=O)C1=CC=C(C=C1)Cl

InChI

InChI=1S/C13H13ClN2O/c1-9(2)16-8-11(7-15)13(17)10-3-5-12(14)6-4-10/h3-6,8-9,16H,1-2H3/b11-8+