4-azanyl-2-[[4-[(5-azanyl-2-carboxy-phenyl)carbamoyl]phenyl]carbonylamino]benzoic acid

Systemtic Name: 4-azanyl-2-[[4-[(5-azanyl-2-carboxy-phenyl)carbamoyl]phenyl]carbonylamino]benzoic acid Openeye Name: 4-amino-2-[[4-[(5-amino-2-carboxy-phenyl)carbamoyl]benzoyl]amino]benzoic acid CAS Name: 4-amino-2-[[[4-[(5-amino-2-carboxyanilino)-oxomethyl]phenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 4-amino-2-[[4-[(5-amino-2-carboxyphenyl)carbamoyl]benzoyl]amino]benzoic acid Traditional Name: 4-amino-2-[[4-[(5-amino-2-carboxy-phenyl)carbamoyl]benzoyl]amino]benzoic acid Formula: C22H18N4O6 MolecularWeight: 434.40152

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC2=C(C=CC(=C2)N)C(=O)O)C(=O)NC3=C(C=CC(=C3)N)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1C(=O)NC2=C(C=CC(=C2)N)C(=O)O)C(=O)NC3=C(C=CC(=C3)N)C(=O)O

InChI

InChI=1S/C22H18N4O6/c23-13-5-7-15(21(29)30)17(9-13)25-19(27)11-1-2-12(4-3-11)20(28)26-18-10-14(24)6-8-16(18)22(31)32/h1-10H,23-24H2,(H,25,27)(H,26,28)(H,29,30)(H,31,32)