4-[[3-[(4-carboxylatophenyl)amino]quinoxalin-2-yl]amino]benzoate

Systemtic Name: 4-[[3-[(4-carboxylatophenyl)amino]quinoxalin-2-yl]amino]benzoate Openeye Name: 4-[[3-(4-carboxylatoanilino)quinoxalin-2-yl]amino]benzoate CAS Name: 4-[[3-(4-carboxylatoanilino)-2-quinoxalinyl]amino]benzoate IUPAC Name: 4-[[3-(4-carboxylatoanilino)quinoxalin-2-yl]amino]benzoate Traditional Name: 4-[[3-(4-carboxylatoanilino)quinoxalin-2-yl]amino]benzoate Formula: C22H14N4O4-2 MolecularWeight: 398.37096

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(C(=N2)NC3=CC=C(C=C3)C(=O)[O-])NC4=CC=C(C=C4)C(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(C(=N2)NC3=CC=C(C=C3)C(=O)[O-])NC4=CC=C(C=C4)C(=O)[O-]

InChI

InChI=1S/C22H16N4O4/c27-21(28)13-5-9-15(10-6-13)23-19-20(26-18-4-2-1-3-17(18)25-19)24-16-11-7-14(8-12-16)22(29)30/h1-12H,(H,23,25)(H,24,26)(H,27,28)(H,29,30)/p-2