2-[(3-bromophenyl)carbonylamino]-5-[4-[(3-bromophenyl)carbonylamino]-3-carboxy-phenyl]benzoic acid

Systemtic Name: 2-[(3-bromophenyl)carbonylamino]-5-[4-[(3-bromophenyl)carbonylamino]-3-carboxy-phenyl]benzoic acid Openeye Name: 2-[(3-bromobenzoyl)amino]-5-[4-[(3-bromobenzoyl)amino]-3-carboxy-phenyl]benzoic acid CAS Name: 2-[[(3-bromophenyl)-oxomethyl]amino]-5-[4-[[(3-bromophenyl)-oxomethyl]amino]-3-carboxyphenyl]benzoic acid IUPAC Name: 2-[(3-bromobenzoyl)amino]-5-[4-[(3-bromobenzoyl)amino]-3-carboxyphenyl]benzoic acid Traditional Name: 2-[(3-bromobenzoyl)amino]-5-[4-[(3-bromobenzoyl)amino]-3-carboxy-phenyl]benzoic acid Formula: C28H18Br2N2O6 MolecularWeight: 638.26032

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)C(=O)NC2=C(C=C(C=C2)C3=CC(=C(C=C3)NC(=O)C4=CC(=CC=C4)Br)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)Br)C(=O)NC2=C(C=C(C=C2)C3=CC(=C(C=C3)NC(=O)C4=CC(=CC=C4)Br)C(=O)O)C(=O)O

InChI

InChI=1S/C28H18Br2N2O6/c29-19-5-1-3-17(11-19)25(33)31-23-9-7-15(13-21(23)27(35)36)16-8-10-24(22(14-16)28(37)38)32-26(34)18-4-2-6-20(30)12-18/h1-14H,(H,31,33)(H,32,34)(H,35,36)(H,37,38)