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

Systemtic Name: 5-methyl-4-[(3-nitro-1,2,4-triazol-1-yl)methyl]-1,2-oxazole-3-carboxylic acid Openeye Name: 5-methyl-4-[(3-nitro-1,2,4-triazol-1-yl)methyl]isoxazole-3-carboxylic acid CAS Name: 5-methyl-4-[(3-nitro-1,2,4-triazol-1-yl)methyl]-3-isoxazolecarboxylic acid IUPAC Name: 5-methyl-4-[(3-nitro-1,2,4-triazol-1-yl)methyl]-1,2-oxazole-3-carboxylic acid Traditional Name: 5-methyl-4-[(3-nitro-1,2,4-triazol-1-yl)methyl]isoxazole-3-carboxylic acid Formula: C8H7N5O5 MolecularWeight: 253.17168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C(=O)O)CN2C=NC(=N2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NO1)C(=O)O)CN2C=NC(=N2)[N+](=O)[O-]

InChI

InChI=1S/C8H7N5O5/c1-4-5(6(7(14)15)11-18-4)2-12-3-9-8(10-12)13(16)17/h3H,2H2,1H3,(H,14,15)