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

Systemtic Name: methyl 5-[(3-nitro-1,2,4-triazol-1-yl)methyl]furan-2-carboxylate Openeye Name: methyl 5-[(3-nitro-1,2,4-triazol-1-yl)methyl]furan-2-carboxylate CAS Name: 5-[(3-nitro-1,2,4-triazol-1-yl)methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[(3-nitro-1,2,4-triazol-1-yl)methyl]furan-2-carboxylate Traditional Name: 5-[(3-nitro-1,2,4-triazol-1-yl)methyl]furan-2-carboxylic acid methyl ester Formula: C9H8N4O5 MolecularWeight: 252.18362

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(O1)CN2C=NC(=N2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=C(O1)CN2C=NC(=N2)[N+](=O)[O-]

InChI

InChI=1S/C9H8N4O5/c1-17-8(14)7-3-2-6(18-7)4-12-5-10-9(11-12)13(15)16/h2-3,5H,4H2,1H3