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

Systemtic Name: [2-oxidanylidene-2-(2,4,5-trimethylphenyl)ethyl] 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoate Openeye Name: [2-oxo-2-(2,4,5-trimethylphenyl)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-(2,4,5-trimethylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetate Traditional Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetic acid [2-keto-2-(2,4,5-trimethylphenyl)ethyl] ester Formula: C18H21N3O5 MolecularWeight: 359.37644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)COC(=O)CN2C(=C(C(=N2)C)[N+](=O)[O-])C)C)C

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)COC(=O)CN2C(=C(C(=N2)C)[N+](=O)[O-])C)C)C

InChI

InChI=1S/C18H21N3O5/c1-10-6-12(3)15(7-11(10)2)16(22)9-26-17(23)8-20-14(5)18(21(24)25)13(4)19-20/h6-7H,8-9H2,1-5H3