[4-[(E)-3-azanyl-2-cyano-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] 3-(4-chlorophenyl)propanoate

Systemtic Name: [4-[(E)-3-azanyl-2-cyano-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] 3-(4-chlorophenyl)propanoate Openeye Name: [4-[(E)-3-amino-2-cyano-3-oxo-prop-1-enyl]-2-methoxy-phenyl] 3-(4-chlorophenyl)propanoate CAS Name: 3-(4-chlorophenyl)propanoic acid [4-[(E)-3-amino-2-cyano-3-oxoprop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-3-amino-2-cyano-3-oxoprop-1-enyl]-2-methoxyphenyl] 3-(4-chlorophenyl)propanoate Traditional Name: 3-(4-chlorophenyl)propionic acid [4-[(E)-3-amino-2-cyano-3-keto-prop-1-enyl]-2-methoxy-phenyl] ester Formula: C20H17ClN2O4 MolecularWeight: 384.81298

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C(C#N)C(=O)N)OC(=O)CCC2=CC=C(C=C2)Cl

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)N)OC(=O)CCC2=CC=C(C=C2)Cl

InChI

InChI=1S/C20H17ClN2O4/c1-26-18-11-14(10-15(12-22)20(23)25)4-8-17(18)27-19(24)9-5-13-2-6-16(21)7-3-13/h2-4,6-8,10-11H,5,9H2,1H3,(H2,23,25)/b15-10+