3-[(5,7-dinitroquinolin-8-yl)amino]benzoic acid

Systemtic Name: 3-[(5,7-dinitroquinolin-8-yl)amino]benzoic acid Openeye Name: 3-[(5,7-dinitro-8-quinolyl)amino]benzoic acid CAS Name: 3-[(5,7-dinitro-8-quinolinyl)amino]benzoic acid IUPAC Name: 3-[(5,7-dinitroquinolin-8-yl)amino]benzoic acid Traditional Name: 3-[(5,7-dinitro-8-quinolyl)amino]benzoic acid Formula: C16H10N4O6 MolecularWeight: 354.2738

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC2=C(C=C(C3=C2N=CC=C3)[N+](=O)[O-])[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)NC2=C(C=C(C3=C2N=CC=C3)[N+](=O)[O-])[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C16H10N4O6/c21-16(22)9-3-1-4-10(7-9)18-15-13(20(25)26)8-12(19(23)24)11-5-2-6-17-14(11)15/h1-8,18H,(H,21,22)