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

Systemtic Name: 4-[[(E)-3-(5-bromanyl-2-propoxy-phenyl)-2-cyano-prop-2-enoyl]amino]benzoic acid Openeye Name: 4-[[(E)-3-(5-bromo-2-propoxy-phenyl)-2-cyano-prop-2-enoyl]amino]benzoic acid CAS Name: 4-[[(E)-3-(5-bromo-2-propoxyphenyl)-2-cyano-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 4-[[(E)-3-(5-bromo-2-propoxyphenyl)-2-cyanoprop-2-enoyl]amino]benzoic acid Traditional Name: 4-[[(E)-3-(5-bromo-2-propoxy-phenyl)-2-cyano-acryloyl]amino]benzoic acid Formula: C20H17BrN2O4 MolecularWeight: 429.26398

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)Br)C=C(C#N)C(=O)NC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CCCOC1=C(C=C(C=C1)Br)/C=C(\C#N)/C(=O)NC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C20H17BrN2O4/c1-2-9-27-18-8-5-16(21)11-14(18)10-15(12-22)19(24)23-17-6-3-13(4-7-17)20(25)26/h3-8,10-11H,2,9H2,1H3,(H,23,24)(H,25,26)/b15-10+