4-[2-[(2-azanyl-3-nitro-7-oxidanylidene-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]hydrazinyl]benzenesulfonic acid

Systemtic Name: 4-[2-[(2-azanyl-3-nitro-7-oxidanylidene-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]hydrazinyl]benzenesulfonic acid Openeye Name: 4-[2-[(2-amino-3-nitro-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]hydrazino]benzenesulfonic acid CAS Name: 4-[(2-amino-3-nitro-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methylhydrazo]benzenesulfonic acid IUPAC Name: 4-[2-[(2-amino-3-nitro-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]hydrazinyl]benzenesulfonic acid Traditional Name: 4-[N'-[(2-amino-7-keto-3-nitro-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]hydrazino]besylic acid Formula: C13H13N7O6S MolecularWeight: 395.35062

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NNCC2=CC(=O)N3C(=N2)C(=C(N3)N)[N+](=O)[O-])S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1NNCC2=CC(=O)N3C(=N2)C(=C(N3)N)[N+](=O)[O-])S(=O)(=O)O

InChI

InChI=1S/C13H13N7O6S/c14-12-11(20(22)23)13-16-8(5-10(21)19(13)18-12)6-15-17-7-1-3-9(4-2-7)27(24,25)26/h1-5,15,17-18H,6,14H2,(H,24,25,26)