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

Systemtic Name: ethyl 4-[[(E)-2-cyano-3-[4-(cyanomethoxy)-3-methoxy-phenyl]prop-2-enoyl]amino]benzoate Openeye Name: ethyl 4-[[(E)-2-cyano-3-[4-(cyanomethoxy)-3-methoxy-phenyl]prop-2-enoyl]amino]benzoate CAS Name: 4-[[(E)-2-cyano-3-[4-(cyanomethoxy)-3-methoxyphenyl]-1-oxoprop-2-enyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(E)-2-cyano-3-[4-(cyanomethoxy)-3-methoxyphenyl]prop-2-enoyl]amino]benzoate Traditional Name: 4-[[(E)-2-cyano-3-[4-(cyanomethoxy)-3-methoxy-phenyl]acryloyl]amino]benzoic acid ethyl ester Formula: C22H19N3O5 MolecularWeight: 405.40336

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19N3O5/c1-3-29-22(27)16-5-7-18(8-6-16)25-21(26)17(14-24)12-15-4-9-19(30-11-10-23)20(13-15)28-2/h4-9,12-13H,3,11H2,1-2H3,(H,25,26)/b17-12+