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

Systemtic Name: 3-[[(Z)-3-[3-bromanyl-5-ethoxy-4-(4-methoxyphenyl)carbonyloxy-phenyl]-2-cyano-prop-2-enoyl]amino]benzoic acid Openeye Name: 3-[[(Z)-3-[3-bromo-5-ethoxy-4-(4-methoxybenzoyl)oxy-phenyl]-2-cyano-prop-2-enoyl]amino]benzoic acid CAS Name: 3-[[(Z)-3-[3-bromo-5-ethoxy-4-[(4-methoxyphenyl)-oxomethoxy]phenyl]-2-cyano-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 3-[[(Z)-3-[3-bromo-5-ethoxy-4-(4-methoxybenzoyl)oxyphenyl]-2-cyanoprop-2-enoyl]amino]benzoic acid Traditional Name: 3-[[(Z)-3-(3-bromo-5-ethoxy-4-p-anisoyloxy-phenyl)-2-cyano-acryloyl]amino]benzoic acid Formula: C27H21BrN2O7 MolecularWeight: 565.36884

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C(C#N)C(=O)NC2=CC=CC(=C2)C(=O)O)Br)OC(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)/C=C(/C#N)\C(=O)NC2=CC=CC(=C2)C(=O)O)Br)OC(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C27H21BrN2O7/c1-3-36-23-13-16(11-19(15-29)25(31)30-20-6-4-5-18(14-20)26(32)33)12-22(28)24(23)37-27(34)17-7-9-21(35-2)10-8-17/h4-14H,3H2,1-2H3,(H,30,31)(H,32,33)/b19-11-