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

Systemtic Name: methyl 4-(3-oxidanylidene-1H-1,2,4-triazol-2-yl)benzoate Openeye Name: methyl 4-(3-oxo-1H-1,2,4-triazol-2-yl)benzoate CAS Name: 4-(3-oxo-1H-1,2,4-triazol-2-yl)benzoic acid methyl ester IUPAC Name: methyl 4-(3-oxo-1H-1,2,4-triazol-2-yl)benzoate Traditional Name: 4-(3-keto-1H-1,2,4-triazol-2-yl)benzoic acid methyl ester Formula: C10H9N3O3 MolecularWeight: 219.19676

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)N2C(=O)N=CN2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)N2C(=O)N=CN2

InChI

InChI=1S/C10H9N3O3/c1-16-9(14)7-2-4-8(5-3-7)13-10(15)11-6-12-13/h2-6H,1H3,(H,11,12,15)