5-methyl-1,2-di(propan-2-yl)pyrazol-3-one; 5-methyl-4-nitro-2-(4-nitrophenyl)-4H-pyrazol-3-one

Systemtic Name: 5-methyl-1,2-di(propan-2-yl)pyrazol-3-one; 5-methyl-4-nitro-2-(4-nitrophenyl)-4H-pyrazol-3-one Openeye Name: 1,2-diisopropyl-5-methyl-pyrazol-3-one; 5-methyl-4-nitro-2-(4-nitrophenyl)-4H-pyrazol-3-one CAS Name: 5-methyl-1,2-di(propan-2-yl)-3-pyrazolone; 5-methyl-4-nitro-2-(4-nitrophenyl)-4H-pyrazol-3-one IUPAC Name: 5-methyl-1,2-di(propan-2-yl)pyrazol-3-one; 5-methyl-4-nitro-2-(4-nitrophenyl)-4H-pyrazol-3-one Traditional Name: 1,2-diisopropyl-5-methyl-3-pyrazolin-3-one; 5-methyl-4-nitro-2-(4-nitrophenyl)-2-pyrazolin-3-one Formula: C20H26N6O6 MolecularWeight: 446.45704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N(N1C(C)C)C(C)C.CC1=NN(C(=O)C1[N+](=O)[O-])C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=O)N(N1C(C)C)C(C)C.CC1=NN(C(=O)C1[N+](=O)[O-])C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C10H8N4O5.C10H18N2O/c1-6-9(14(18)19)10(15)12(11-6)7-2-4-8(5-3-7)13(16)17;1-7(2)11-9(5)6-10(13)12(11)8(3)4/h2-5,9H,1H3;6-8H,1-5H3