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

Systemtic Name: 2-oxidanylidenepropyl 2-[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]ethanoate Openeye Name: acetonyl 2-[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]acetate CAS Name: 2-[3-(4-nitrophenyl)-1-phenyl-4-pyrazolyl]acetic acid 2-oxopropyl ester IUPAC Name: 2-oxopropyl 2-[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]acetate Traditional Name: 2-[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]acetic acid acetonyl ester Formula: C20H17N3O5 MolecularWeight: 379.36608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17N3O5/c1-14(24)13-28-19(25)11-16-12-22(17-5-3-2-4-6-17)21-20(16)15-7-9-18(10-8-15)23(26)27/h2-10,12H,11,13H2,1H3