2-[[3-[(2-carboxyphenyl)carbamoyl]-5-[(4-nitrophenyl)carbonylamino]phenyl]carbonylamino]benzoic acid

Systemtic Name: 2-[[3-[(2-carboxyphenyl)carbamoyl]-5-[(4-nitrophenyl)carbonylamino]phenyl]carbonylamino]benzoic acid Openeye Name: 2-[[3-[(2-carboxyphenyl)carbamoyl]-5-[(4-nitrobenzoyl)amino]benzoyl]amino]benzoic acid CAS Name: 2-[[[3-[(2-carboxyanilino)-oxomethyl]-5-[[(4-nitrophenyl)-oxomethyl]amino]phenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 2-[[3-[(2-carboxyphenyl)carbamoyl]-5-[(4-nitrobenzoyl)amino]benzoyl]amino]benzoic acid Traditional Name: 2-[[3-[(2-carboxyphenyl)carbamoyl]-5-[(4-nitrobenzoyl)amino]benzoyl]amino]benzoic acid Formula: C29H20N4O9 MolecularWeight: 568.4905

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)NC(=O)C2=CC(=CC(=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)NC4=CC=CC=C4C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)NC(=O)C2=CC(=CC(=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)NC4=CC=CC=C4C(=O)O

InChI

InChI=1S/C29H20N4O9/c34-25(16-9-11-20(12-10-16)33(41)42)30-19-14-17(26(35)31-23-7-3-1-5-21(23)28(37)38)13-18(15-19)27(36)32-24-8-4-2-6-22(24)29(39)40/h1-15H,(H,30,34)(H,31,35)(H,32,36)(H,37,38)(H,39,40)