5-methyl-4-[(3-methyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)-(3-nitro-4-oxidanyl-phenyl)methyl]-1,2-dihydropyrazol-3-one

Systemtic Name: 5-methyl-4-[(3-methyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)-(3-nitro-4-oxidanyl-phenyl)methyl]-1,2-dihydropyrazol-3-one Openeye Name: 4-[(4-hydroxy-3-nitro-phenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one CAS Name: 4-[(4-hydroxy-3-nitrophenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one IUPAC Name: 4-[(4-hydroxy-3-nitrophenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one Traditional Name: 4-[(4-hydroxy-3-nitro-phenyl)-(3-keto-5-methyl-3-pyrazolin-4-yl)methyl]-5-methyl-3-pyrazolin-3-one Formula: C15H15N5O5 MolecularWeight: 345.3101

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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)