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

Systemtic Name: methyl 4-[(3-nitro-1,2,4-triazol-1-yl)methyl]benzoate Openeye Name: methyl 4-[(3-nitro-1,2,4-triazol-1-yl)methyl]benzoate CAS Name: 4-[(3-nitro-1,2,4-triazol-1-yl)methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(3-nitro-1,2,4-triazol-1-yl)methyl]benzoate Traditional Name: 4-[(3-nitro-1,2,4-triazol-1-yl)methyl]benzoic acid methyl ester Formula: C11H10N4O4 MolecularWeight: 262.2215

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H10N4O4/c1-19-10(16)9-4-2-8(3-5-9)6-14-7-12-11(13-14)15(17)18/h2-5,7H,6H2,1H3