[2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl] (E)-2-cyano-3-(4-ethoxyphenyl)prop-2-enoate

Systemtic Name: [2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl] (E)-2-cyano-3-(4-ethoxyphenyl)prop-2-enoate Openeye Name: [2-(3-cyanoanilino)-2-oxo-ethyl] (E)-2-cyano-3-(4-ethoxyphenyl)prop-2-enoate CAS Name: (E)-2-cyano-3-(4-ethoxyphenyl)-2-propenoic acid [2-(3-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-cyanoanilino)-2-oxoethyl] (E)-2-cyano-3-(4-ethoxyphenyl)prop-2-enoate Traditional Name: (E)-2-cyano-3-p-phenetyl-acrylic acid [2-(3-cyanoanilino)-2-keto-ethyl] ester Formula: C21H17N3O4 MolecularWeight: 375.37738

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C=C(C#N)C(=O)OCC(=O)NC2=CC=CC(=C2)C#N

Isomeric SMILES

CCOC1=CC=C(C=C1)/C=C(\C#N)/C(=O)OCC(=O)NC2=CC=CC(=C2)C#N

InChI

InChI=1S/C21H17N3O4/c1-2-27-19-8-6-15(7-9-19)10-17(13-23)21(26)28-14-20(25)24-18-5-3-4-16(11-18)12-22/h3-11H,2,14H2,1H3,(H,24,25)/b17-10+