4-[(5,7-dinitroquinolin-8-yl)amino]-2-oxidanyl-benzoate

Systemtic Name: 4-[(5,7-dinitroquinolin-8-yl)amino]-2-oxidanyl-benzoate Openeye Name: 4-[(5,7-dinitro-8-quinolyl)amino]-2-hydroxy-benzoate CAS Name: 4-[(5,7-dinitro-8-quinolinyl)amino]-2-hydroxybenzoate IUPAC Name: 4-[(5,7-dinitroquinolin-8-yl)amino]-2-hydroxybenzoate Traditional Name: 4-[(5,7-dinitro-8-quinolyl)amino]-2-hydroxy-benzoate Formula: C16H9N4O7- MolecularWeight: 369.26526

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C(C=C2[N+](=O)[O-])[N+](=O)[O-])NC3=CC(=C(C=C3)C(=O)[O-])O)N=C1

Isomeric SMILES

C1=CC2=C(C(=C(C=C2[N+](=O)[O-])[N+](=O)[O-])NC3=CC(=C(C=C3)C(=O)[O-])O)N=C1

InChI

InChI=1S/C16H10N4O7/c21-13-6-8(3-4-10(13)16(22)23)18-15-12(20(26)27)7-11(19(24)25)9-2-1-5-17-14(9)15/h1-7,18,21H,(H,22,23)/p-1