4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-5-methyl-1,2-oxazole-3-carboxylic acid

Systemtic Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-5-methyl-1,2-oxazole-3-carboxylic acid Openeye Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-5-methyl-isoxazole-3-carboxylic acid CAS Name: 4-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-5-methyl-3-isoxazolecarboxylic acid IUPAC Name: 4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-5-methyl-1,2-oxazole-3-carboxylic acid Traditional Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-5-methyl-isoxazole-3-carboxylic acid Formula: C11H12N4O5 MolecularWeight: 280.23678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=C(ON=C2C(=O)O)C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=C(ON=C2C(=O)O)C)C)[N+](=O)[O-]

InChI

InChI=1S/C11H12N4O5/c1-5-10(15(18)19)6(2)14(12-5)4-8-7(3)20-13-9(8)11(16)17/h4H2,1-3H3,(H,16,17)