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

Systemtic Name: 3-[[3-(2-bromanyl-5-ethoxy-4-prop-2-enoxy-phenyl)-2-cyano-prop-2-enoyl]amino]benzoic acid Openeye Name: 3-[[3-(4-allyloxy-2-bromo-5-ethoxy-phenyl)-2-cyano-prop-2-enoyl]amino]benzoic acid CAS Name: 3-[[3-(2-bromo-5-ethoxy-4-prop-2-enoxyphenyl)-2-cyano-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 3-[[3-(2-bromo-5-ethoxy-4-prop-2-enoxyphenyl)-2-cyanoprop-2-enoyl]amino]benzoic acid Traditional Name: 3-[[3-(4-allyloxy-2-bromo-5-ethoxy-phenyl)-2-cyano-acryloyl]amino]benzoic acid Formula: C22H19BrN2O5 MolecularWeight: 471.30066

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)C=C(C#N)C(=O)NC2=CC=CC(=C2)C(=O)O)Br)OCC=C

Isomeric SMILES

CCOC1=C(C=C(C(=C1)C=C(C#N)C(=O)NC2=CC=CC(=C2)C(=O)O)Br)OCC=C

InChI

InChI=1S/C22H19BrN2O5/c1-3-8-30-20-12-18(23)15(11-19(20)29-4-2)9-16(13-24)21(26)25-17-7-5-6-14(10-17)22(27)28/h3,5-7,9-12H,1,4,8H2,2H3,(H,25,26)(H,27,28)