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

Systemtic Name: methyl 5-oxidanylidene-1-(phenylmethyl)-2H-1,2,3-triazole-4-carboxylate; phenylmethanamine Openeye Name: methyl 1-benzyl-5-oxo-2H-triazole-4-carboxylate; phenylmethanamine CAS Name: 5-oxo-1-(phenylmethyl)-2H-triazole-4-carboxylic acid methyl ester; phenylmethanamine IUPAC Name: methyl 1-benzyl-5-oxo-2H-triazole-4-carboxylate; phenylmethanamine Traditional Name: benzylamine; 1-benzyl-5-keto-2H-triazole-4-carboxylic acid methyl ester Formula: C18H20N4O3 MolecularWeight: 340.3764

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NNN(C1=O)CC2=CC=CC=C2.C1=CC=C(C=C1)CN

Isomeric SMILES

COC(=O)C1=NNN(C1=O)CC2=CC=CC=C2.C1=CC=C(C=C1)CN

InChI

InChI=1S/C11H11N3O3.C7H9N/c1-17-11(16)9-10(15)14(13-12-9)7-8-5-3-2-4-6-8;8-6-7-4-2-1-3-5-7/h2-6,13H,7H2,1H3;1-5H,6,8H2