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

Systemtic Name: [4-[(E)-2-cyano-3-oxidanylidene-3-(pyridin-3-ylmethylamino)prop-1-enyl]-2-ethoxy-phenyl] benzoate Openeye Name: [4-[(E)-2-cyano-3-oxo-3-(3-pyridylmethylamino)prop-1-enyl]-2-ethoxy-phenyl] benzoate CAS Name: benzoic acid [4-[(E)-2-cyano-3-oxo-3-(3-pyridinylmethylamino)prop-1-enyl]-2-ethoxyphenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-oxo-3-(pyridin-3-ylmethylamino)prop-1-enyl]-2-ethoxyphenyl] benzoate Traditional Name: benzoic acid [4-[(E)-2-cyano-3-keto-3-(3-pyridylmethylamino)prop-1-enyl]-2-ethoxy-phenyl] ester Formula: C25H21N3O4 MolecularWeight: 427.45194

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C(C#N)C(=O)NCC2=CN=CC=C2)OC(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)NCC2=CN=CC=C2)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C25H21N3O4/c1-2-31-23-14-18(10-11-22(23)32-25(30)20-8-4-3-5-9-20)13-21(15-26)24(29)28-17-19-7-6-12-27-16-19/h3-14,16H,2,17H2,1H3,(H,28,29)/b21-13+