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

Systemtic Name: 5-(2-azanyl-3-methyl-phenyl)carbonyl-3-[(4-methoxyphenyl)methyl]-1,2,3-triazole-4-carboxylic acid Openeye Name: 5-(2-amino-3-methyl-benzoyl)-3-[(4-methoxyphenyl)methyl]triazole-4-carboxylic acid CAS Name: 5-[(2-amino-3-methylphenyl)-oxomethyl]-3-[(4-methoxyphenyl)methyl]-4-triazolecarboxylic acid IUPAC Name: 5-(2-amino-3-methylbenzoyl)-3-[(4-methoxyphenyl)methyl]triazole-4-carboxylic acid Traditional Name: 5-(2-amino-3-methyl-benzoyl)-3-p-anisyl-triazole-4-carboxylic acid Formula: C19H18N4O4 MolecularWeight: 366.37062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1N)C(=O)C2=C(N(N=N2)CC3=CC=C(C=C3)OC)C(=O)O

Isomeric SMILES

CC1=CC=CC(=C1N)C(=O)C2=C(N(N=N2)CC3=CC=C(C=C3)OC)C(=O)O

InChI

InChI=1S/C19H18N4O4/c1-11-4-3-5-14(15(11)20)18(24)16-17(19(25)26)23(22-21-16)10-12-6-8-13(27-2)9-7-12/h3-9H,10,20H2,1-2H3,(H,25,26)