4-[[3-(4-acetyloxyphenyl)-2-[(3-bromophenyl)carbonylamino]prop-2-enoyl]amino]benzoic acid

Systemtic Name: 4-[[3-(4-acetyloxyphenyl)-2-[(3-bromophenyl)carbonylamino]prop-2-enoyl]amino]benzoic acid Openeye Name: 4-[[3-(4-acetoxyphenyl)-2-[(3-bromobenzoyl)amino]prop-2-enoyl]amino]benzoic acid CAS Name: 4-[[3-(4-acetyloxyphenyl)-2-[[(3-bromophenyl)-oxomethyl]amino]-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 4-[[3-(4-acetyloxyphenyl)-2-[(3-bromobenzoyl)amino]prop-2-enoyl]amino]benzoic acid Traditional Name: 4-[[3-(4-acetoxyphenyl)-2-[(3-bromobenzoyl)amino]acryloyl]amino]benzoic acid Formula: C25H19BrN2O6 MolecularWeight: 523.33216

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=C(C=C1)C=C(C(=O)NC2=CC=C(C=C2)C(=O)O)NC(=O)C3=CC(=CC=C3)Br

Isomeric SMILES

CC(=O)OC1=CC=C(C=C1)C=C(C(=O)NC2=CC=C(C=C2)C(=O)O)NC(=O)C3=CC(=CC=C3)Br

InChI

InChI=1S/C25H19BrN2O6/c1-15(29)34-21-11-5-16(6-12-21)13-22(28-23(30)18-3-2-4-19(26)14-18)24(31)27-20-9-7-17(8-10-20)25(32)33/h2-14H,1H3,(H,27,31)(H,28,30)(H,32,33)