[(1S)-2-oxidanylidenecyclohexyl] 2-[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]ethanoate

Systemtic Name: [(1S)-2-oxidanylidenecyclohexyl] 2-[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]ethanoate Openeye Name: [(1S)-2-oxocyclohexyl] 2-[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]acetate CAS Name: 2-[3-(4-nitrophenyl)-1-phenyl-4-pyrazolyl]acetic acid [(1S)-2-oxocyclohexyl] ester IUPAC Name: [(1S)-2-oxocyclohexyl] 2-[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]acetate Traditional Name: 2-[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]acetic acid [(1S)-2-ketocyclohexyl] ester Formula: C23H21N3O5 MolecularWeight: 419.42994

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)C(C1)OC(=O)CC2=CN(N=C2C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

C1CCC(=O)[C@H](C1)OC(=O)CC2=CN(N=C2C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C23H21N3O5/c27-20-8-4-5-9-21(20)31-22(28)14-17-15-25(18-6-2-1-3-7-18)24-23(17)16-10-12-19(13-11-16)26(29)30/h1-3,6-7,10-13,15,21H,4-5,8-9,14H2/t21-/m0/s1