[(1R)-1-cyanoethyl] 2-[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]ethanoate

Systemtic Name: [(1R)-1-cyanoethyl] 2-[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]ethanoate Openeye Name: [(1R)-1-cyanoethyl] 2-[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]acetate CAS Name: 2-[3-(4-nitrophenyl)-1-phenyl-4-pyrazolyl]acetic acid [(1R)-1-cyanoethyl] ester IUPAC Name: [(1R)-1-cyanoethyl] 2-[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]acetate Traditional Name: 2-[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]acetic acid [(1R)-1-cyanoethyl] ester Formula: C20H16N4O4 MolecularWeight: 376.36544

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)OC(=O)CC1=CN(N=C1C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

C[C@H](C#N)OC(=O)CC1=CN(N=C1C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C20H16N4O4/c1-14(12-21)28-19(25)11-16-13-23(17-5-3-2-4-6-17)22-20(16)15-7-9-18(10-8-15)24(26)27/h2-10,13-14H,11H2,1H3/t14-/m1/s1