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

Systemtic Name: 4-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-1-pyrazol-1-yl-butan-1-one Openeye Name: 4-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-1-pyrazol-1-yl-butan-1-one CAS Name: 4-(3,5-dimethyl-4-nitro-1-pyrazolyl)-1-(1-pyrazolyl)-1-butanone IUPAC Name: 4-(3,5-dimethyl-4-nitropyrazol-1-yl)-1-pyrazol-1-ylbutan-1-one Traditional Name: 4-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-1-pyrazol-1-yl-butan-1-one Formula: C12H15N5O3 MolecularWeight: 277.2792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCCC(=O)N2C=CC=N2)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CCCC(=O)N2C=CC=N2)C)[N+](=O)[O-]

InChI

InChI=1S/C12H15N5O3/c1-9-12(17(19)20)10(2)15(14-9)7-3-5-11(18)16-8-4-6-13-16/h4,6,8H,3,5,7H2,1-2H3