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

Systemtic Name: (2-azanyl-2-oxidanylidene-1-phenyl-ethyl) 4-(1,2,4-triazol-1-ylmethyl)benzoate Openeye Name: (2-amino-2-oxo-1-phenyl-ethyl) 4-(1,2,4-triazol-1-ylmethyl)benzoate CAS Name: 4-(1,2,4-triazol-1-ylmethyl)benzoic acid (2-amino-2-oxo-1-phenylethyl) ester IUPAC Name: (2-amino-2-oxo-1-phenylethyl) 4-(1,2,4-triazol-1-ylmethyl)benzoate Traditional Name: 4-(1,2,4-triazol-1-ylmethyl)benzoic acid (2-amino-2-keto-1-phenyl-ethyl) ester Formula: C18H16N4O3 MolecularWeight: 336.34464

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)N)OC(=O)C2=CC=C(C=C2)CN3C=NC=N3

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)N)OC(=O)C2=CC=C(C=C2)CN3C=NC=N3

InChI

InChI=1S/C18H16N4O3/c19-17(23)16(14-4-2-1-3-5-14)25-18(24)15-8-6-13(7-9-15)10-22-12-20-11-21-22/h1-9,11-12,16H,10H2,(H2,19,23)