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

Systemtic Name: 5-methyl-4-[(3-nitro-1,2,4-triazol-1-yl)methyl]-1,2-oxazole-3-carboxylate Openeye Name: 5-methyl-4-[(3-nitro-1,2,4-triazol-1-yl)methyl]isoxazole-3-carboxylate CAS Name: 5-methyl-4-[(3-nitro-1,2,4-triazol-1-yl)methyl]-3-isoxazolecarboxylate IUPAC Name: 5-methyl-4-[(3-nitro-1,2,4-triazol-1-yl)methyl]-1,2-oxazole-3-carboxylate Traditional Name: 5-methyl-4-[(3-nitro-1,2,4-triazol-1-yl)methyl]isoxazole-3-carboxylate Formula: C8H6N5O5- MolecularWeight: 252.16374

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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)/p-1