methyl 5-phenylazanyl-2-[2-(phenylcarbonyloxy)ethoxymethyl]-1,2,4-triazole-3-carboxylate

Systemtic Name: methyl 5-phenylazanyl-2-[2-(phenylcarbonyloxy)ethoxymethyl]-1,2,4-triazole-3-carboxylate Openeye Name: methyl 5-anilino-2-(2-benzoyloxyethoxymethyl)-1,2,4-triazole-3-carboxylate CAS Name: 5-anilino-2-(2-benzoyloxyethoxymethyl)-1,2,4-triazole-3-carboxylic acid methyl ester IUPAC Name: methyl 5-anilino-2-(2-benzoyloxyethoxymethyl)-1,2,4-triazole-3-carboxylate Traditional Name: 5-anilino-2-(2-benzoyloxyethoxymethyl)-1,2,4-triazole-3-carboxylic acid methyl ester Formula: C20H20N4O5 MolecularWeight: 396.3966

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NC(=NN1COCCOC(=O)C2=CC=CC=C2)NC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=NC(=NN1COCCOC(=O)C2=CC=CC=C2)NC3=CC=CC=C3

InChI

InChI=1S/C20H20N4O5/c1-27-19(26)17-22-20(21-16-10-6-3-7-11-16)23-24(17)14-28-12-13-29-18(25)15-8-4-2-5-9-15/h2-11H,12-14H2,1H3,(H,21,23)