2-[[3-acetyloxy-5-[(4-bromanyl-2-carboxy-phenyl)carbamoyl]phenyl]carbonylamino]-5-bromanyl-benzoic acid

Systemtic Name: 2-[[3-acetyloxy-5-[(4-bromanyl-2-carboxy-phenyl)carbamoyl]phenyl]carbonylamino]-5-bromanyl-benzoic acid Openeye Name: 2-[[3-acetoxy-5-[(4-bromo-2-carboxy-phenyl)carbamoyl]benzoyl]amino]-5-bromo-benzoic acid CAS Name: 2-[[[3-acetyloxy-5-[(4-bromo-2-carboxyanilino)-oxomethyl]phenyl]-oxomethyl]amino]-5-bromobenzoic acid IUPAC Name: 2-[[3-acetyloxy-5-[(4-bromo-2-carboxyphenyl)carbamoyl]benzoyl]amino]-5-bromobenzoic acid Traditional Name: 2-[[3-acetoxy-5-[(4-bromo-2-carboxy-phenyl)carbamoyl]benzoyl]amino]-5-bromo-benzoic acid Formula: C24H16Br2N2O8 MolecularWeight: 620.20044

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC(=CC(=C1)C(=O)NC2=C(C=C(C=C2)Br)C(=O)O)C(=O)NC3=C(C=C(C=C3)Br)C(=O)O

Isomeric SMILES

CC(=O)OC1=CC(=CC(=C1)C(=O)NC2=C(C=C(C=C2)Br)C(=O)O)C(=O)NC3=C(C=C(C=C3)Br)C(=O)O

InChI

InChI=1S/C24H16Br2N2O8/c1-11(29)36-16-7-12(21(30)27-19-4-2-14(25)9-17(19)23(32)33)6-13(8-16)22(31)28-20-5-3-15(26)10-18(20)24(34)35/h2-10H,1H3,(H,27,30)(H,28,31)(H,32,33)(H,34,35)