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

Systemtic Name: 2-[bis(3-methyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)methyl]-6-bromanyl-4-nitro-phenolate Openeye Name: 2-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-6-bromo-4-nitro-phenolate CAS Name: 2-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-6-bromo-4-nitrophenolate IUPAC Name: 2-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-6-bromo-4-nitrophenolate Traditional Name: 2-[bis(3-keto-5-methyl-3-pyrazolin-4-yl)methyl]-6-bromo-4-nitro-phenolate Formula: C15H13BrN5O5- MolecularWeight: 423.19822

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14BrN5O5/c1-5-10(14(23)19-17-5)12(11-6(2)18-20-15(11)24)8-3-7(21(25)26)4-9(16)13(8)22/h3-4,12,22H,1-2H3,(H2,17,19,23)(H2,18,20,24)/p-1