methyl 3-(4-nitro-1,2,3-triazol-2-yl)benzoate

Systemtic Name: methyl 3-(4-nitro-1,2,3-triazol-2-yl)benzoate Openeye Name: methyl 3-(4-nitrotriazol-2-yl)benzoate CAS Name: 3-(4-nitro-2-triazolyl)benzoic acid methyl ester IUPAC Name: methyl 3-(4-nitrotriazol-2-yl)benzoate Traditional Name: 3-(4-nitrotriazol-2-yl)benzoic acid methyl ester Formula: C10H8N4O4 MolecularWeight: 248.19492

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)N2N=CC(=N2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)N2N=CC(=N2)[N+](=O)[O-]

InChI

InChI=1S/C10H8N4O4/c1-18-10(15)7-3-2-4-8(5-7)13-11-6-9(12-13)14(16)17/h2-6H,1H3