methyl 4-[[(E)-2-cyano-3-(4-ethoxy-3-methoxy-phenyl)prop-2-enoyl]amino]benzoate

Systemtic Name: methyl 4-[[(E)-2-cyano-3-(4-ethoxy-3-methoxy-phenyl)prop-2-enoyl]amino]benzoate Openeye Name: methyl 4-[[(E)-2-cyano-3-(4-ethoxy-3-methoxy-phenyl)prop-2-enoyl]amino]benzoate CAS Name: 4-[[(E)-2-cyano-3-(4-ethoxy-3-methoxyphenyl)-1-oxoprop-2-enyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[(E)-2-cyano-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoyl]amino]benzoate Traditional Name: 4-[[(E)-2-cyano-3-(4-ethoxy-3-methoxy-phenyl)acryloyl]amino]benzoic acid methyl ester Formula: C21H20N2O5 MolecularWeight: 380.3939

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O5/c1-4-28-18-10-5-14(12-19(18)26-2)11-16(13-22)20(24)23-17-8-6-15(7-9-17)21(25)27-3/h5-12H,4H2,1-3H3,(H,23,24)/b16-11+