(phenylmethyl) 4-azanyl-5-oxidanylidene-3-phenyl-1,2,4-triazole-1-carboxylate

Systemtic Name: (phenylmethyl) 4-azanyl-5-oxidanylidene-3-phenyl-1,2,4-triazole-1-carboxylate Openeye Name: benzyl 4-amino-5-oxo-3-phenyl-1,2,4-triazole-1-carboxylate CAS Name: 4-amino-5-oxo-3-phenyl-1,2,4-triazole-1-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-amino-5-oxo-3-phenyl-1,2,4-triazole-1-carboxylate Traditional Name: 4-amino-5-keto-3-phenyl-1,2,4-triazole-1-carboxylic acid benzyl ester Formula: C16H14N4O3 MolecularWeight: 310.30736

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)N2C(=O)N(C(=N2)C3=CC=CC=C3)N

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)N2C(=O)N(C(=N2)C3=CC=CC=C3)N

InChI

InChI=1S/C16H14N4O3/c17-19-14(13-9-5-2-6-10-13)18-20(15(19)21)16(22)23-11-12-7-3-1-4-8-12/h1-10H,11,17H2