(3,3-dimethyl-2-oxidanylidene-butyl) 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzoate CAS Name: 4-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]benzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]benzoate Traditional Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C19H23N3O5 MolecularWeight: 373.40302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)OCC(=O)C(C)(C)C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)OCC(=O)C(C)(C)C)C)[N+](=O)[O-]

InChI

InChI=1S/C19H23N3O5/c1-12-17(22(25)26)13(2)21(20-12)10-14-6-8-15(9-7-14)18(24)27-11-16(23)19(3,4)5/h6-9H,10-11H2,1-5H3