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

Systemtic Name: 4-[[(E)-2-cyano-3-(3-methoxy-4-prop-2-enoxy-phenyl)prop-2-enoyl]amino]benzoate Openeye Name: 4-[[(E)-3-(4-allyloxy-3-methoxy-phenyl)-2-cyano-prop-2-enoyl]amino]benzoate CAS Name: 4-[[(E)-2-cyano-3-(3-methoxy-4-prop-2-enoxyphenyl)-1-oxoprop-2-enyl]amino]benzoate IUPAC Name: 4-[[(E)-2-cyano-3-(3-methoxy-4-prop-2-enoxyphenyl)prop-2-enoyl]amino]benzoate Traditional Name: 4-[[(E)-3-(4-allyloxy-3-methoxy-phenyl)-2-cyano-acryloyl]amino]benzoate Formula: C21H17N2O5- MolecularWeight: 377.37008

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C(C#N)C(=O)NC2=CC=C(C=C2)C(=O)[O-])OCC=C

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)NC2=CC=C(C=C2)C(=O)[O-])OCC=C

InChI

InChI=1S/C21H18N2O5/c1-3-10-28-18-9-4-14(12-19(18)27-2)11-16(13-22)20(24)23-17-7-5-15(6-8-17)21(25)26/h3-9,11-12H,1,10H2,2H3,(H,23,24)(H,25,26)/p-1/b16-11+