2-[[(E)-3-(3-bromanyl-4-ethoxy-5-methoxy-phenyl)-2-cyano-prop-2-enoyl]amino]benzoic acid

Systemtic Name: 2-[[(E)-3-(3-bromanyl-4-ethoxy-5-methoxy-phenyl)-2-cyano-prop-2-enoyl]amino]benzoic acid Openeye Name: 2-[[(E)-3-(3-bromo-4-ethoxy-5-methoxy-phenyl)-2-cyano-prop-2-enoyl]amino]benzoic acid CAS Name: 2-[[(E)-3-(3-bromo-4-ethoxy-5-methoxyphenyl)-2-cyano-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 2-[[(E)-3-(3-bromo-4-ethoxy-5-methoxyphenyl)-2-cyanoprop-2-enoyl]amino]benzoic acid Traditional Name: 2-[[(E)-3-(3-bromo-4-ethoxy-5-methoxy-phenyl)-2-cyano-acryloyl]amino]benzoic acid Formula: C20H17BrN2O5 MolecularWeight: 445.26338

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Br)C=C(C#N)C(=O)NC2=CC=CC=C2C(=O)O)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1Br)/C=C(\C#N)/C(=O)NC2=CC=CC=C2C(=O)O)OC

InChI

InChI=1S/C20H17BrN2O5/c1-3-28-18-15(21)9-12(10-17(18)27-2)8-13(11-22)19(24)23-16-7-5-4-6-14(16)20(25)26/h4-10H,3H2,1-2H3,(H,23,24)(H,25,26)/b13-8+