1-[2-[(5-methyl-2-phenyl-1,2,3-triazol-4-yl)carbonyl]pyrazolidin-1-yl]-6-nitro-hexan-1-one

Systemtic Name: 1-[2-[(5-methyl-2-phenyl-1,2,3-triazol-4-yl)carbonyl]pyrazolidin-1-yl]-6-nitro-hexan-1-one Openeye Name: 1-[2-(5-methyl-2-phenyl-triazole-4-carbonyl)pyrazolidin-1-yl]-6-nitro-hexan-1-one CAS Name: 1-[2-[(5-methyl-2-phenyl-4-triazolyl)-oxomethyl]-1-pyrazolidinyl]-6-nitro-1-hexanone IUPAC Name: 1-[2-(5-methyl-2-phenyltriazole-4-carbonyl)pyrazolidin-1-yl]-6-nitrohexan-1-one Traditional Name: 1-[2-(5-methyl-2-phenyl-triazole-4-carbonyl)pyrazolidin-1-yl]-6-nitro-hexan-1-one Formula: C19H24N6O4 MolecularWeight: 400.43166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(N=C1C(=O)N2CCCN2C(=O)CCCCC[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CC1=NN(N=C1C(=O)N2CCCN2C(=O)CCCCC[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C19H24N6O4/c1-15-18(21-25(20-15)16-9-4-2-5-10-16)19(27)23-13-8-12-22(23)17(26)11-6-3-7-14-24(28)29/h2,4-5,9-10H,3,6-8,11-14H2,1H3