ethyl 2-methyl-5-(2-methylpropyl)-4-nitro-pyrazole-3-carboxylate

Systemtic Name: ethyl 2-methyl-5-(2-methylpropyl)-4-nitro-pyrazole-3-carboxylate Openeye Name: ethyl 5-isobutyl-2-methyl-4-nitro-pyrazole-3-carboxylate CAS Name: 2-methyl-5-(2-methylpropyl)-4-nitro-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-methyl-5-(2-methylpropyl)-4-nitropyrazole-3-carboxylate Traditional Name: 5-isobutyl-2-methyl-4-nitro-pyrazole-3-carboxylic acid ethyl ester Formula: C11H17N3O4 MolecularWeight: 255.27038

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=NN1C)CC(C)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(C(=NN1C)CC(C)C)[N+](=O)[O-]

InChI

InChI=1S/C11H17N3O4/c1-5-18-11(15)10-9(14(16)17)8(6-7(2)3)12-13(10)4/h7H,5-6H2,1-4H3