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

Systemtic Name: 4-[(5,7-dinitroquinolin-8-yl)amino]benzoate Openeye Name: 4-[(5,7-dinitro-8-quinolyl)amino]benzoate CAS Name: 4-[(5,7-dinitro-8-quinolinyl)amino]benzoate IUPAC Name: 4-[(5,7-dinitroquinolin-8-yl)amino]benzoate Traditional Name: 4-[(5,7-dinitro-8-quinolyl)amino]benzoate Formula: C16H9N4O6- MolecularWeight: 353.26586

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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-])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-])N=C1

InChI

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