[2-oxidanylidene-2-[phenyl(propan-2-yl)amino]ethyl] 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoate

Systemtic Name: [2-oxidanylidene-2-[phenyl(propan-2-yl)amino]ethyl] 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoate Openeye Name: [2-(N-isopropylanilino)-2-oxo-ethyl] 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetate CAS Name: 2-(3,5-dimethyl-4-nitro-1-pyrazolyl)acetic acid [2-oxo-2-(N-propan-2-ylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetate Traditional Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetic acid [2-(N-isopropylanilino)-2-keto-ethyl] ester Formula: C18H22N4O5 MolecularWeight: 374.39108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)OCC(=O)N(C2=CC=CC=C2)C(C)C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(=O)OCC(=O)N(C2=CC=CC=C2)C(C)C)C)[N+](=O)[O-]

InChI

InChI=1S/C18H22N4O5/c1-12(2)21(15-8-6-5-7-9-15)16(23)11-27-17(24)10-20-14(4)18(22(25)26)13(3)19-20/h5-9,12H,10-11H2,1-4H3