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

Systemtic Name: 3-[[3-[3,5-bis(bromanyl)-4-ethoxy-phenyl]-2-cyano-prop-2-enoyl]amino]benzoic acid Openeye Name: 3-[[2-cyano-3-(3,5-dibromo-4-ethoxy-phenyl)prop-2-enoyl]amino]benzoic acid CAS Name: 3-[[2-cyano-3-(3,5-dibromo-4-ethoxyphenyl)-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 3-[[2-cyano-3-(3,5-dibromo-4-ethoxyphenyl)prop-2-enoyl]amino]benzoic acid Traditional Name: 3-[[2-cyano-3-(3,5-dibromo-4-ethoxy-phenyl)acryloyl]amino]benzoic acid Formula: C19H14Br2N2O4 MolecularWeight: 494.13346

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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(=C2)C(=O)O)Br

Isomeric SMILES

CCOC1=C(C=C(C=C1Br)C=C(C#N)C(=O)NC2=CC=CC(=C2)C(=O)O)Br

InChI

InChI=1S/C19H14Br2N2O4/c1-2-27-17-15(20)7-11(8-16(17)21)6-13(10-22)18(24)23-14-5-3-4-12(9-14)19(25)26/h3-9H,2H2,1H3,(H,23,24)(H,25,26)