(2-azanyl-2-oxidanylidene-ethyl) 4-(1,2,4-triazol-1-yl)benzoate

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl) 4-(1,2,4-triazol-1-yl)benzoate Openeye Name: (2-amino-2-oxo-ethyl) 4-(1,2,4-triazol-1-yl)benzoate CAS Name: 4-(1,2,4-triazol-1-yl)benzoic acid (2-amino-2-oxoethyl) ester IUPAC Name: (2-amino-2-oxoethyl) 4-(1,2,4-triazol-1-yl)benzoate Traditional Name: 4-(1,2,4-triazol-1-yl)benzoic acid (2-amino-2-keto-ethyl) ester Formula: C11H10N4O3 MolecularWeight: 246.2221

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)OCC(=O)N)N2C=NC=N2

Isomeric SMILES

C1=CC(=CC=C1C(=O)OCC(=O)N)N2C=NC=N2

InChI

InChI=1S/C11H10N4O3/c12-10(16)5-18-11(17)8-1-3-9(4-2-8)15-7-13-6-14-15/h1-4,6-7H,5H2,(H2,12,16)