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

Systemtic Name: 1-methyl-5-oxidanylidene-4-(phenylmethyl)-1,2,4-triazole-3-carboxylate Openeye Name: 4-benzyl-1-methyl-5-oxo-1,2,4-triazole-3-carboxylate CAS Name: 1-methyl-5-oxo-4-(phenylmethyl)-1,2,4-triazole-3-carboxylate IUPAC Name: 4-benzyl-1-methyl-5-oxo-1,2,4-triazole-3-carboxylate Traditional Name: 4-benzyl-5-keto-1-methyl-1,2,4-triazole-3-carboxylate Formula: C11H10N3O3- MolecularWeight: 232.2154

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)N(C(=N1)C(=O)[O-])CC2=CC=CC=C2

Isomeric SMILES

CN1C(=O)N(C(=N1)C(=O)[O-])CC2=CC=CC=C2

InChI

InChI=1S/C11H11N3O3/c1-13-11(17)14(9(12-13)10(15)16)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,15,16)/p-1