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

Systemtic Name: 4-[[(E)-2-cyano-3-(3-ethoxy-2-methoxy-phenyl)prop-2-enoyl]amino]benzoate Openeye Name: 4-[[(E)-2-cyano-3-(3-ethoxy-2-methoxy-phenyl)prop-2-enoyl]amino]benzoate CAS Name: 4-[[(E)-2-cyano-3-(3-ethoxy-2-methoxyphenyl)-1-oxoprop-2-enyl]amino]benzoate IUPAC Name: 4-[[(E)-2-cyano-3-(3-ethoxy-2-methoxyphenyl)prop-2-enoyl]amino]benzoate Traditional Name: 4-[[(E)-2-cyano-3-(3-ethoxy-2-methoxy-phenyl)acryloyl]amino]benzoate Formula: C20H17N2O5- MolecularWeight: 365.35938

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1OC)C=C(C#N)C(=O)NC2=CC=C(C=C2)C(=O)[O-]

Isomeric SMILES

CCOC1=CC=CC(=C1OC)/C=C(\C#N)/C(=O)NC2=CC=C(C=C2)C(=O)[O-]

InChI

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