[4-[(Z)-2-cyano-3-oxidanylidene-3-(pyridin-2-ylmethylamino)prop-1-enyl]-2-ethoxy-phenyl] 4-chloranylbenzoate

Systemtic Name: [4-[(Z)-2-cyano-3-oxidanylidene-3-(pyridin-2-ylmethylamino)prop-1-enyl]-2-ethoxy-phenyl] 4-chloranylbenzoate Openeye Name: [4-[(Z)-2-cyano-3-oxo-3-(2-pyridylmethylamino)prop-1-enyl]-2-ethoxy-phenyl] 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid [4-[(Z)-2-cyano-3-oxo-3-(2-pyridinylmethylamino)prop-1-enyl]-2-ethoxyphenyl] ester IUPAC Name: [4-[(Z)-2-cyano-3-oxo-3-(pyridin-2-ylmethylamino)prop-1-enyl]-2-ethoxyphenyl] 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid [4-[(Z)-2-cyano-3-keto-3-(2-pyridylmethylamino)prop-1-enyl]-2-ethoxy-phenyl] ester Formula: C25H20ClN3O4 MolecularWeight: 461.897

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C(C#N)C(=O)NCC2=CC=CC=N2)OC(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C(/C#N)\C(=O)NCC2=CC=CC=N2)OC(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C25H20ClN3O4/c1-2-32-23-14-17(6-11-22(23)33-25(31)18-7-9-20(26)10-8-18)13-19(15-27)24(30)29-16-21-5-3-4-12-28-21/h3-14H,2,16H2,1H3,(H,29,30)/b19-13-