4-azanyl-2-[[4-[(5-azanyl-2-carboxylato-phenyl)carbamoyl]phenyl]carbonylamino]benzoate

Systemtic Name: 4-azanyl-2-[[4-[(5-azanyl-2-carboxylato-phenyl)carbamoyl]phenyl]carbonylamino]benzoate Openeye Name: 4-amino-2-[[4-[(5-amino-2-carboxylato-phenyl)carbamoyl]benzoyl]amino]benzoate CAS Name: 4-amino-2-[[[4-[(5-amino-2-carboxylatoanilino)-oxomethyl]phenyl]-oxomethyl]amino]benzoate IUPAC Name: 4-amino-2-[[4-[(5-amino-2-carboxylatophenyl)carbamoyl]benzoyl]amino]benzoate Traditional Name: 4-amino-2-[[4-[(5-amino-2-carboxylato-phenyl)carbamoyl]benzoyl]amino]benzoate Formula: C22H16N4O6-2 MolecularWeight: 432.38564

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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)/p-2