methyl 5-(3,4-dimethoxyphenyl)carbonyl-2H-1,2,3-triazole-4-carboxylate

Systemtic Name: methyl 5-(3,4-dimethoxyphenyl)carbonyl-2H-1,2,3-triazole-4-carboxylate Openeye Name: methyl 5-(3,4-dimethoxybenzoyl)-2H-triazole-4-carboxylate CAS Name: 5-[(3,4-dimethoxyphenyl)-oxomethyl]-2H-triazole-4-carboxylic acid methyl ester IUPAC Name: methyl 5-(3,4-dimethoxybenzoyl)-2H-triazole-4-carboxylate Traditional Name: 5-veratroyl-2H-triazole-4-carboxylic acid methyl ester Formula: C13H13N3O5 MolecularWeight: 291.25942

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)C2=NNN=C2C(=O)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)C2=NNN=C2C(=O)OC)OC

InChI

InChI=1S/C13H13N3O5/c1-19-8-5-4-7(6-9(8)20-2)12(17)10-11(13(18)21-3)15-16-14-10/h4-6H,1-3H3,(H,14,15,16)