1-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-4-(4-nitropyrazol-1-yl)butan-1-one

Systemtic Name: 1-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-4-(4-nitropyrazol-1-yl)butan-1-one Openeye Name: 1-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-4-(4-nitropyrazol-1-yl)butan-1-one CAS Name: 1-(3,5-dimethyl-4-nitro-1-pyrazolyl)-4-(4-nitro-1-pyrazolyl)-1-butanone IUPAC Name: 1-(3,5-dimethyl-4-nitropyrazol-1-yl)-4-(4-nitropyrazol-1-yl)butan-1-one Traditional Name: 1-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-4-(4-nitropyrazol-1-yl)butan-1-one Formula: C12H14N6O5 MolecularWeight: 322.27676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C(=O)CCCN2C=C(C=N2)[N+](=O)[O-])C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1C(=O)CCCN2C=C(C=N2)[N+](=O)[O-])C)[N+](=O)[O-]

InChI

InChI=1S/C12H14N6O5/c1-8-12(18(22)23)9(2)16(14-8)11(19)4-3-5-15-7-10(6-13-15)17(20)21/h6-7H,3-5H2,1-2H3