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

Systemtic Name: 4-[bis(3-methyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)methyl]-2-nitro-phenolate Openeye Name: 4-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-2-nitro-phenolate CAS Name: 4-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-2-nitrophenolate IUPAC Name: 4-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-2-nitrophenolate Traditional Name: 4-[bis(3-keto-5-methyl-3-pyrazolin-4-yl)methyl]-2-nitro-phenolate Formula: C15H14N5O5- MolecularWeight: 344.30216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15N5O5/c1-6-11(14(22)18-16-6)13(12-7(2)17-19-15(12)23)8-3-4-10(21)9(5-8)20(24)25/h3-5,13,21H,1-2H3,(H2,16,18,22)(H2,17,19,23)/p-1