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

Systemtic Name: 4-[(3-ethoxy-4-nitro-pyrazol-1-yl)methyl]-5-methyl-1,2-oxazole-3-carboxylic acid Openeye Name: 4-[(3-ethoxy-4-nitro-pyrazol-1-yl)methyl]-5-methyl-isoxazole-3-carboxylic acid CAS Name: 4-[(3-ethoxy-4-nitro-1-pyrazolyl)methyl]-5-methyl-3-isoxazolecarboxylic acid IUPAC Name: 4-[(3-ethoxy-4-nitropyrazol-1-yl)methyl]-5-methyl-1,2-oxazole-3-carboxylic acid Traditional Name: 4-[(3-ethoxy-4-nitro-pyrazol-1-yl)methyl]-5-methyl-isoxazole-3-carboxylic acid Formula: C11H12N4O6 MolecularWeight: 296.23618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NN(C=C1[N+](=O)[O-])CC2=C(ON=C2C(=O)O)C

Isomeric SMILES

CCOC1=NN(C=C1[N+](=O)[O-])CC2=C(ON=C2C(=O)O)C

InChI

InChI=1S/C11H12N4O6/c1-3-20-10-8(15(18)19)5-14(12-10)4-7-6(2)21-13-9(7)11(16)17/h5H,3-4H2,1-2H3,(H,16,17)