ethyl 2-(acetyloxymethyl)-5-(2-azanyl-4,5-dimethoxy-phenyl)carbonyl-1,2,3-triazole-4-carboxylate

Systemtic Name: ethyl 2-(acetyloxymethyl)-5-(2-azanyl-4,5-dimethoxy-phenyl)carbonyl-1,2,3-triazole-4-carboxylate Openeye Name: ethyl 2-(acetoxymethyl)-5-(2-amino-4,5-dimethoxy-benzoyl)triazole-4-carboxylate CAS Name: 2-(acetyloxymethyl)-5-[(2-amino-4,5-dimethoxyphenyl)-oxomethyl]-4-triazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(acetyloxymethyl)-5-(2-amino-4,5-dimethoxybenzoyl)triazole-4-carboxylate Traditional Name: 2-(acetoxymethyl)-5-(2-amino-4,5-dimethoxy-benzoyl)triazole-4-carboxylic acid ethyl ester Formula: C17H20N4O7 MolecularWeight: 392.3633

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(N=C1C(=O)C2=CC(=C(C=C2N)OC)OC)COC(=O)C

Isomeric SMILES

CCOC(=O)C1=NN(N=C1C(=O)C2=CC(=C(C=C2N)OC)OC)COC(=O)C

InChI

InChI=1S/C17H20N4O7/c1-5-27-17(24)15-14(19-21(20-15)8-28-9(2)22)16(23)10-6-12(25-3)13(26-4)7-11(10)18/h6-7H,5,8,18H2,1-4H3