2-[5-(4-nitrophenyl)-3-oxidanylidene-1H-pyrazol-2-yl]benzene-1,4-disulfonic acid

Systemtic Name: 2-[5-(4-nitrophenyl)-3-oxidanylidene-1H-pyrazol-2-yl]benzene-1,4-disulfonic acid Openeye Name: 2-[5-(4-nitrophenyl)-3-oxo-1H-pyrazol-2-yl]benzene-1,4-disulfonic acid CAS Name: 2-[5-(4-nitrophenyl)-3-oxo-1H-pyrazol-2-yl]benzene-1,4-disulfonic acid IUPAC Name: 2-[5-(4-nitrophenyl)-3-oxo-1H-pyrazol-2-yl]benzene-1,4-disulfonic acid Traditional Name: 2-[5-keto-3-(4-nitrophenyl)-3-pyrazolin-1-yl]benzene-1,4-disulfonic acid Formula: C15H11N3O9S2 MolecularWeight: 441.39254

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CC(=O)N(N2)C3=C(C=CC(=C3)S(=O)(=O)O)S(=O)(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C2=CC(=O)N(N2)C3=C(C=CC(=C3)S(=O)(=O)O)S(=O)(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C15H11N3O9S2/c19-15-8-12(9-1-3-10(4-2-9)18(20)21)16-17(15)13-7-11(28(22,23)24)5-6-14(13)29(25,26)27/h1-8,16H,(H,22,23,24)(H,25,26,27)