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

Systemtic Name: methyl 1-[(3-nitro-1,2,4-triazol-1-yl)methyl]pyrazole-3-carboxylate Openeye Name: methyl 1-[(3-nitro-1,2,4-triazol-1-yl)methyl]pyrazole-3-carboxylate CAS Name: 1-[(3-nitro-1,2,4-triazol-1-yl)methyl]-3-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 1-[(3-nitro-1,2,4-triazol-1-yl)methyl]pyrazole-3-carboxylate Traditional Name: 1-[(3-nitro-1,2,4-triazol-1-yl)methyl]pyrazole-3-carboxylic acid methyl ester Formula: C8H8N6O4 MolecularWeight: 252.18692

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NN(C=C1)CN2C=NC(=N2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=NN(C=C1)CN2C=NC(=N2)[N+](=O)[O-]

InChI

InChI=1S/C8H8N6O4/c1-18-7(15)6-2-3-12(10-6)5-13-4-9-8(11-13)14(16)17/h2-4H,5H2,1H3