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

Systemtic Name: [(1S)-2-oxidanylidenecyclohexyl] 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzoate Openeye Name: [(1S)-2-oxocyclohexyl] 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzoate CAS Name: 4-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]benzoic acid [(1S)-2-oxocyclohexyl] ester IUPAC Name: [(1S)-2-oxocyclohexyl] 4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]benzoate Traditional Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzoic acid [(1S)-2-ketocyclohexyl] ester Formula: C19H21N3O5 MolecularWeight: 371.38714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)OC3CCCCC3=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)O[C@H]3CCCCC3=O)C)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O5/c1-12-18(22(25)26)13(2)21(20-12)11-14-7-9-15(10-8-14)19(24)27-17-6-4-3-5-16(17)23/h7-10,17H,3-6,11H2,1-2H3/t17-/m0/s1