5-nitro-1-(6-oxidanylhexyl)-2H-indazol-3-one

Systemtic Name: 5-nitro-1-(6-oxidanylhexyl)-2H-indazol-3-one Openeye Name: 1-(6-hydroxyhexyl)-5-nitro-2H-indazol-3-one CAS Name: 1-(6-hydroxyhexyl)-5-nitro-2H-indazol-3-one IUPAC Name: 1-(6-hydroxyhexyl)-5-nitro-2H-indazol-3-one Traditional Name: 1-(6-hydroxyhexyl)-5-nitro-indazolin-3-one Formula: C13H17N3O4 MolecularWeight: 279.29178

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1[N+](=O)[O-])C(=O)NN2CCCCCCO

Isomeric SMILES

C1=CC2=C(C=C1[N+](=O)[O-])C(=O)NN2CCCCCCO

InChI

InChI=1S/C13H17N3O4/c17-8-4-2-1-3-7-15-12-6-5-10(16(19)20)9-11(12)13(18)14-15/h5-6,9,17H,1-4,7-8H2,(H,14,18)