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

Systemtic Name: [2-[cyclohexyl(phenyl)amino]-2-oxidanylidene-ethyl] 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoate Openeye Name: [2-(N-cyclohexylanilino)-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-(N-cyclohexylanilino)-2-oxoethyl] ester IUPAC Name: [2-(N-cyclohexylanilino)-2-oxoethyl] 2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetate Traditional Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetic acid [2-(N-cyclohexylanilino)-2-keto-ethyl] ester Formula: C21H26N4O5 MolecularWeight: 414.45494

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)OCC(=O)N(C2CCCCC2)C3=CC=CC=C3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(=O)OCC(=O)N(C2CCCCC2)C3=CC=CC=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C21H26N4O5/c1-15-21(25(28)29)16(2)23(22-15)13-20(27)30-14-19(26)24(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3,5-6,9-10,18H,4,7-8,11-14H2,1-2H3