ethyl 4-[[(E)-2-cyano-3-(5-methoxy-2-oxidanyl-phenyl)prop-2-enoyl]amino]benzoate

Systemtic Name: ethyl 4-[[(E)-2-cyano-3-(5-methoxy-2-oxidanyl-phenyl)prop-2-enoyl]amino]benzoate Openeye Name: ethyl 4-[[(E)-2-cyano-3-(2-hydroxy-5-methoxy-phenyl)prop-2-enoyl]amino]benzoate CAS Name: 4-[[(E)-2-cyano-3-(2-hydroxy-5-methoxyphenyl)-1-oxoprop-2-enyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(E)-2-cyano-3-(2-hydroxy-5-methoxyphenyl)prop-2-enoyl]amino]benzoate Traditional Name: 4-[[(E)-2-cyano-3-(2-hydroxy-5-methoxy-phenyl)acryloyl]amino]benzoic acid ethyl ester Formula: C20H18N2O5 MolecularWeight: 366.36732

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C(=CC2=C(C=CC(=C2)OC)O)C#N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)/C(=C/C2=C(C=CC(=C2)OC)O)/C#N

InChI

InChI=1S/C20H18N2O5/c1-3-27-20(25)13-4-6-16(7-5-13)22-19(24)15(12-21)10-14-11-17(26-2)8-9-18(14)23/h4-11,23H,3H2,1-2H3,(H,22,24)/b15-10+