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

Systemtic Name: [4-[(E)-3-azanyl-2-cyano-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] 3-(3-chlorophenyl)propanoate Openeye Name: [4-[(E)-3-amino-2-cyano-3-oxo-prop-1-enyl]-2-methoxy-phenyl] 3-(3-chlorophenyl)propanoate CAS Name: 3-(3-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-(3-chlorophenyl)propanoate Traditional Name: 3-(3-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(=CC=C2)Cl

Isomeric SMILES

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

InChI

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