(E)-2-(4-chlorophenyl)carbonyl-3-(cyclopropylamino)but-2-enenitrile

Systemtic Name: (E)-2-(4-chlorophenyl)carbonyl-3-(cyclopropylamino)but-2-enenitrile Openeye Name: (E)-2-(4-chlorobenzoyl)-3-(cyclopropylamino)but-2-enenitrile CAS Name: (E)-2-[(4-chlorophenyl)-oxomethyl]-3-(cyclopropylamino)-2-butenenitrile IUPAC Name: (E)-2-(4-chlorobenzoyl)-3-(cyclopropylamino)but-2-enenitrile Traditional Name: (E)-2-(4-chlorobenzoyl)-3-(cyclopropylamino)but-2-enenitrile Formula: C14H13ClN2O MolecularWeight: 260.71882

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)C(=O)C1=CC=C(C=C1)Cl)NC2CC2

Isomeric SMILES

C/C(=C(/C#N)\C(=O)C1=CC=C(C=C1)Cl)/NC2CC2

InChI

InChI=1S/C14H13ClN2O/c1-9(17-12-6-7-12)13(8-16)14(18)10-2-4-11(15)5-3-10/h2-5,12,17H,6-7H2,1H3/b13-9+