4-[bis(3-methyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)methyl]-6-nitro-benzene-1,3-diolate

Systemtic Name: 4-[bis(3-methyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)methyl]-6-nitro-benzene-1,3-diolate Openeye Name: 4-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-6-nitro-benzene-1,3-diolate CAS Name: 4-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-6-nitrobenzene-1,3-diolate IUPAC Name: 4-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-6-nitrobenzene-1,3-diolate Traditional Name: 4-[bis(3-keto-5-methyl-3-pyrazolin-4-yl)methyl]-6-nitro-benzene-1,3-diolate Formula: C15H13N5O6-2 MolecularWeight: 359.29362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NN1)C(C2=CC(=C(C=C2[O-])[O-])[N+](=O)[O-])C3=C(NNC3=O)C

Isomeric SMILES

CC1=C(C(=O)NN1)C(C2=CC(=C(C=C2[O-])[O-])[N+](=O)[O-])C3=C(NNC3=O)C

InChI

InChI=1S/C15H15N5O6/c1-5-11(14(23)18-16-5)13(12-6(2)17-19-15(12)24)7-3-8(20(25)26)10(22)4-9(7)21/h3-4,13,21-22H,1-2H3,(H2,16,18,23)(H2,17,19,24)/p-2