5-methyl-4-nitro-2-(4-nitrophenyl)-1H-pyrazol-3-one; 1-(1-methylpiperidin-2-yl)ethanol

Systemtic Name: 5-methyl-4-nitro-2-(4-nitrophenyl)-1H-pyrazol-3-one; 1-(1-methylpiperidin-2-yl)ethanol Openeye Name: 5-methyl-4-nitro-2-(4-nitrophenyl)-1H-pyrazol-3-one; 1-(1-methyl-2-piperidyl)ethanol CAS Name: 5-methyl-4-nitro-2-(4-nitrophenyl)-1H-pyrazol-3-one; 1-(1-methyl-2-piperidinyl)ethanol IUPAC Name: 5-methyl-4-nitro-2-(4-nitrophenyl)-1H-pyrazol-3-one; 1-(1-methylpiperidin-2-yl)ethanol Traditional Name: 5-methyl-4-nitro-2-(4-nitrophenyl)-3-pyrazolin-3-one; 1-(1-methyl-2-piperidyl)ethanol Formula: C18H25N5O6 MolecularWeight: 407.421

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-].CC(C1CCCCN1C)O

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-].CC(C1CCCCN1C)O

InChI

InChI=1S/C10H8N4O5.C8H17NO/c1-6-9(14(18)19)10(15)12(11-6)7-2-4-8(5-3-7)13(16)17;1-7(10)8-5-3-4-6-9(8)2/h2-5,11H,1H3;7-8,10H,3-6H2,1-2H3