1-[2-(5-methyl-1-phenyl-pyrazol-4-yl)carbonylpyrazolidin-1-yl]-6-nitro-hexan-1-one

Systemtic Name: 1-[2-(5-methyl-1-phenyl-pyrazol-4-yl)carbonylpyrazolidin-1-yl]-6-nitro-hexan-1-one Openeye Name: 1-[2-(5-methyl-1-phenyl-pyrazole-4-carbonyl)pyrazolidin-1-yl]-6-nitro-hexan-1-one CAS Name: 1-[2-[(5-methyl-1-phenyl-4-pyrazolyl)-oxomethyl]-1-pyrazolidinyl]-6-nitro-1-hexanone IUPAC Name: 1-[2-(5-methyl-1-phenylpyrazole-4-carbonyl)pyrazolidin-1-yl]-6-nitrohexan-1-one Traditional Name: 1-[2-(5-methyl-1-phenyl-pyrazole-4-carbonyl)pyrazolidin-1-yl]-6-nitro-hexan-1-one Formula: C20H25N5O4 MolecularWeight: 399.4436

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=CC=CC=C2)C(=O)N3CCCN3C(=O)CCCCC[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=NN1C2=CC=CC=C2)C(=O)N3CCCN3C(=O)CCCCC[N+](=O)[O-]

InChI

InChI=1S/C20H25N5O4/c1-16-18(15-21-25(16)17-9-4-2-5-10-17)20(27)23-13-8-12-22(23)19(26)11-6-3-7-14-24(28)29/h2,4-5,9-10,15H,3,6-8,11-14H2,1H3