3-[(3,4,5-trimethoxyphenyl)carbonylamino]-1H-1,2,4-triazole-5-carboxylic acid

Systemtic Name: 3-[(3,4,5-trimethoxyphenyl)carbonylamino]-1H-1,2,4-triazole-5-carboxylic acid Openeye Name: 3-[(3,4,5-trimethoxybenzoyl)amino]-1H-1,2,4-triazole-5-carboxylic acid CAS Name: 3-[[oxo-(3,4,5-trimethoxyphenyl)methyl]amino]-1H-1,2,4-triazole-5-carboxylic acid IUPAC Name: 3-[(3,4,5-trimethoxybenzoyl)amino]-1H-1,2,4-triazole-5-carboxylic acid Traditional Name: 3-[(3,4,5-trimethoxybenzoyl)amino]-1H-1,2,4-triazole-5-carboxylic acid Formula: C13H14N4O6 MolecularWeight: 322.27346

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)NC2=NNC(=N2)C(=O)O

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)NC2=NNC(=N2)C(=O)O

InChI

InChI=1S/C13H14N4O6/c1-21-7-4-6(5-8(22-2)9(7)23-3)11(18)15-13-14-10(12(19)20)16-17-13/h4-5H,1-3H3,(H,19,20)(H2,14,15,16,17,18)