5-methyl-4-nitro-2-(4-nitrophenyl)-4H-pyrazol-3-one; (6-methylpyridin-2-yl)methanol

Systemtic Name: 5-methyl-4-nitro-2-(4-nitrophenyl)-4H-pyrazol-3-one; (6-methylpyridin-2-yl)methanol Openeye Name: 5-methyl-4-nitro-2-(4-nitrophenyl)-4H-pyrazol-3-one; (6-methyl-2-pyridyl)methanol CAS Name: 5-methyl-4-nitro-2-(4-nitrophenyl)-4H-pyrazol-3-one; (6-methyl-2-pyridinyl)methanol IUPAC Name: 5-methyl-4-nitro-2-(4-nitrophenyl)-4H-pyrazol-3-one; (6-methylpyridin-2-yl)methanol Traditional Name: 5-methyl-4-nitro-2-(4-nitrophenyl)-2-pyrazolin-3-one; (6-methyl-2-pyridyl)methanol Formula: C17H17N5O6 MolecularWeight: 387.34678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)CO.CC1=NN(C(=O)C1[N+](=O)[O-])C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=CC=C1)CO.CC1=NN(C(=O)C1[N+](=O)[O-])C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C10H8N4O5.C7H9NO/c1-6-9(14(18)19)10(15)12(11-6)7-2-4-8(5-3-7)13(16)17;1-6-3-2-4-7(5-9)8-6/h2-5,9H,1H3;2-4,9H,5H2,1H3