1-[2-(5-tert-butyl-2-methyl-pyrazol-3-yl)carbonylpyrazolidin-1-yl]-6-nitro-hexan-1-one

Systemtic Name: 1-[2-(5-tert-butyl-2-methyl-pyrazol-3-yl)carbonylpyrazolidin-1-yl]-6-nitro-hexan-1-one Openeye Name: 1-[2-(5-tert-butyl-2-methyl-pyrazole-3-carbonyl)pyrazolidin-1-yl]-6-nitro-hexan-1-one CAS Name: 1-[2-[(5-tert-butyl-2-methyl-3-pyrazolyl)-oxomethyl]-1-pyrazolidinyl]-6-nitro-1-hexanone IUPAC Name: 1-[2-(5-tert-butyl-2-methylpyrazole-3-carbonyl)pyrazolidin-1-yl]-6-nitrohexan-1-one Traditional Name: 1-[2-(5-tert-butyl-2-methyl-pyrazole-3-carbonyl)pyrazolidin-1-yl]-6-nitro-hexan-1-one Formula: C18H29N5O4 MolecularWeight: 379.45396

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)C(=O)N2CCCN2C(=O)CCCCC[N+](=O)[O-])C

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)C(=O)N2CCCN2C(=O)CCCCC[N+](=O)[O-])C

InChI

InChI=1S/C18H29N5O4/c1-18(2,3)15-13-14(20(4)19-15)17(25)22-11-8-10-21(22)16(24)9-6-5-7-12-23(26)27/h13H,5-12H2,1-4H3