5-methyl-4-nitro-2-(4-nitrophenyl)-4H-pyrazol-3-one; 1-pyridin-2-ylethanol

Systemtic Name: 5-methyl-4-nitro-2-(4-nitrophenyl)-4H-pyrazol-3-one; 1-pyridin-2-ylethanol Openeye Name: 5-methyl-4-nitro-2-(4-nitrophenyl)-4H-pyrazol-3-one; 1-(2-pyridyl)ethanol CAS Name: 5-methyl-4-nitro-2-(4-nitrophenyl)-4H-pyrazol-3-one; 1-(2-pyridinyl)ethanol IUPAC Name: 5-methyl-4-nitro-2-(4-nitrophenyl)-4H-pyrazol-3-one; 1-pyridin-2-ylethanol Traditional Name: 5-methyl-4-nitro-2-(4-nitrophenyl)-2-pyrazolin-3-one; 1-(2-pyridyl)ethanol Formula: C17H17N5O6 MolecularWeight: 387.34678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1[N+](=O)[O-])C2=CC=C(C=C2)[N+](=O)[O-].CC(C1=CC=CC=N1)O

Isomeric SMILES

CC1=NN(C(=O)C1[N+](=O)[O-])C2=CC=C(C=C2)[N+](=O)[O-].CC(C1=CC=CC=N1)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(9)7-4-2-3-5-8-7/h2-5,9H,1H3;2-6,9H,1H3