5-(2-azanyl-4,5-dimethoxy-phenyl)carbonyl-3-[(4-methoxyphenyl)methyl]-1,2,3-triazole-4-carboxylic acid

Systemtic Name: 5-(2-azanyl-4,5-dimethoxy-phenyl)carbonyl-3-[(4-methoxyphenyl)methyl]-1,2,3-triazole-4-carboxylic acid Openeye Name: 5-(2-amino-4,5-dimethoxy-benzoyl)-3-[(4-methoxyphenyl)methyl]triazole-4-carboxylic acid CAS Name: 5-[(2-amino-4,5-dimethoxyphenyl)-oxomethyl]-3-[(4-methoxyphenyl)methyl]-4-triazolecarboxylic acid IUPAC Name: 5-(2-amino-4,5-dimethoxybenzoyl)-3-[(4-methoxyphenyl)methyl]triazole-4-carboxylic acid Traditional Name: 5-(2-amino-4,5-dimethoxy-benzoyl)-3-p-anisyl-triazole-4-carboxylic acid Formula: C20H20N4O6 MolecularWeight: 412.396

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2C(=C(N=N2)C(=O)C3=CC(=C(C=C3N)OC)OC)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)CN2C(=C(N=N2)C(=O)C3=CC(=C(C=C3N)OC)OC)C(=O)O

InChI

InChI=1S/C20H20N4O6/c1-28-12-6-4-11(5-7-12)10-24-18(20(26)27)17(22-23-24)19(25)13-8-15(29-2)16(30-3)9-14(13)21/h4-9H,10,21H2,1-3H3,(H,26,27)