[4-[(E)-2-cyano-3-[(2-methoxyphenyl)amino]-3-oxidanylidene-prop-1-enyl]-2-ethoxy-phenyl] propanoate

Systemtic Name: [4-[(E)-2-cyano-3-[(2-methoxyphenyl)amino]-3-oxidanylidene-prop-1-enyl]-2-ethoxy-phenyl] propanoate Openeye Name: [4-[(E)-2-cyano-3-(2-methoxyanilino)-3-oxo-prop-1-enyl]-2-ethoxy-phenyl] propanoate CAS Name: propanoic acid [4-[(E)-2-cyano-3-(2-methoxyanilino)-3-oxoprop-1-enyl]-2-ethoxyphenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-(2-methoxyanilino)-3-oxoprop-1-enyl]-2-ethoxyphenyl] propanoate Traditional Name: propionic acid [4-[(E)-2-cyano-3-keto-3-(o-anisidino)prop-1-enyl]-2-ethoxy-phenyl] ester Formula: C22H22N2O5 MolecularWeight: 394.42048

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1=C(C=C(C=C1)C=C(C#N)C(=O)NC2=CC=CC=C2OC)OCC

Isomeric SMILES

CCC(=O)OC1=C(C=C(C=C1)/C=C(\C#N)/C(=O)NC2=CC=CC=C2OC)OCC

InChI

InChI=1S/C22H22N2O5/c1-4-21(25)29-19-11-10-15(13-20(19)28-5-2)12-16(14-23)22(26)24-17-8-6-7-9-18(17)27-3/h6-13H,4-5H2,1-3H3,(H,24,26)/b16-12+