2-[4-[(5,7-dinitroquinolin-8-yl)amino]phenyl]sulfonylguanidine

Systemtic Name: 2-[4-[(5,7-dinitroquinolin-8-yl)amino]phenyl]sulfonylguanidine Openeye Name: 2-[4-[(5,7-dinitro-8-quinolyl)amino]phenyl]sulfonylguanidine CAS Name: 2-[4-[(5,7-dinitro-8-quinolinyl)amino]phenyl]sulfonylguanidine IUPAC Name: 2-[4-[(5,7-dinitroquinolin-8-yl)amino]phenyl]sulfonylguanidine Traditional Name: 2-[4-[(5,7-dinitro-8-quinolyl)amino]phenyl]sulfonylguanidine Formula: C16H13N7O6S MolecularWeight: 431.38272

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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)S(=O)(=O)N=C(N)N)N=C1

Isomeric SMILES

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

InChI

InChI=1S/C16H13N7O6S/c17-16(18)21-30(28,29)10-5-3-9(4-6-10)20-15-13(23(26)27)8-12(22(24)25)11-2-1-7-19-14(11)15/h1-8,20H,(H4,17,18,21)