[(1S)-2-oxidanylidenecyclohexyl] 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoate

Systemtic Name: [(1S)-2-oxidanylidenecyclohexyl] 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoate Openeye Name: [(1S)-2-oxocyclohexyl] 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetate CAS Name: 2-(3,5-dimethyl-4-nitro-1-pyrazolyl)acetic acid [(1S)-2-oxocyclohexyl] ester IUPAC Name: [(1S)-2-oxocyclohexyl] 2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetate Traditional Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetic acid [(1S)-2-ketocyclohexyl] ester Formula: C13H17N3O5 MolecularWeight: 295.29118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)OC2CCCCC2=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(=O)O[C@H]2CCCCC2=O)C)[N+](=O)[O-]

InChI

InChI=1S/C13H17N3O5/c1-8-13(16(19)20)9(2)15(14-8)7-12(18)21-11-6-4-3-5-10(11)17/h11H,3-7H2,1-2H3/t11-/m0/s1