5,7-dinitro-1-phenyl-2H-indazol-3-one

Systemtic Name: 5,7-dinitro-1-phenyl-2H-indazol-3-one Openeye Name: 5,7-dinitro-1-phenyl-2H-indazol-3-one CAS Name: 5,7-dinitro-1-phenyl-2H-indazol-3-one IUPAC Name: 5,7-dinitro-1-phenyl-2H-indazol-3-one Traditional Name: 5,7-dinitro-1-phenyl-indazolin-3-one Formula: C13H8N4O5 MolecularWeight: 300.22642

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=C(C=C(C=C3C(=O)N2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N2C3=C(C=C(C=C3C(=O)N2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H8N4O5/c18-13-10-6-9(16(19)20)7-11(17(21)22)12(10)15(14-13)8-4-2-1-3-5-8/h1-7H,(H,14,18)