[4-[(E)-3-[(4-chlorophenyl)methylamino]-2-cyano-3-oxidanylidene-prop-1-enyl]-2-ethoxy-phenyl] ethanoate

Systemtic Name: [4-[(E)-3-[(4-chlorophenyl)methylamino]-2-cyano-3-oxidanylidene-prop-1-enyl]-2-ethoxy-phenyl] ethanoate Openeye Name: [4-[(E)-3-[(4-chlorophenyl)methylamino]-2-cyano-3-oxo-prop-1-enyl]-2-ethoxy-phenyl] acetate CAS Name: acetic acid [4-[(E)-3-[(4-chlorophenyl)methylamino]-2-cyano-3-oxoprop-1-enyl]-2-ethoxyphenyl] ester IUPAC Name: [4-[(E)-3-[(4-chlorophenyl)methylamino]-2-cyano-3-oxoprop-1-enyl]-2-ethoxyphenyl] acetate Traditional Name: acetic acid [4-[(E)-3-[(4-chlorobenzyl)amino]-2-cyano-3-keto-prop-1-enyl]-2-ethoxy-phenyl] ester Formula: C21H19ClN2O4 MolecularWeight: 398.83956

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C(C#N)C(=O)NCC2=CC=C(C=C2)Cl)OC(=O)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)NCC2=CC=C(C=C2)Cl)OC(=O)C

InChI

InChI=1S/C21H19ClN2O4/c1-3-27-20-11-16(6-9-19(20)28-14(2)25)10-17(12-23)21(26)24-13-15-4-7-18(22)8-5-15/h4-11H,3,13H2,1-2H3,(H,24,26)/b17-10+