2-[[(E)-2-cyano-3-(3-ethoxy-2-methoxy-phenyl)prop-2-enoyl]amino]benzoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1OC)C=C(C#N)C(=O)NC2=CC=CC=C2C(=O)O

Isomeric SMILES

CCOC1=CC=CC(=C1OC)/C=C(\C#N)/C(=O)NC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C20H18N2O5/c1-3-27-17-10-6-7-13(18(17)26-2)11-14(12-21)19(23)22-16-9-5-4-8-15(16)20(24)25/h4-11H,3H2,1-2H3,(H,22,23)(H,24,25)/b14-11+