4-[5-azanyl-3-[(3,4-dimethoxyphenyl)amino]-1,2,4-triazol-1-yl]benzoic acid

Systemtic Name: 4-[5-azanyl-3-[(3,4-dimethoxyphenyl)amino]-1,2,4-triazol-1-yl]benzoic acid Openeye Name: 4-[5-amino-3-(3,4-dimethoxyanilino)-1,2,4-triazol-1-yl]benzoic acid CAS Name: 4-[5-amino-3-(3,4-dimethoxyanilino)-1,2,4-triazol-1-yl]benzoic acid IUPAC Name: 4-[5-amino-3-(3,4-dimethoxyanilino)-1,2,4-triazol-1-yl]benzoic acid Traditional Name: 4-[5-amino-3-(3,4-dimethoxyanilino)-1,2,4-triazol-1-yl]benzoic acid Formula: C17H17N5O4 MolecularWeight: 355.34798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC2=NN(C(=N2)N)C3=CC=C(C=C3)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC2=NN(C(=N2)N)C3=CC=C(C=C3)C(=O)O)OC

InChI

InChI=1S/C17H17N5O4/c1-25-13-8-5-11(9-14(13)26-2)19-17-20-16(18)22(21-17)12-6-3-10(4-7-12)15(23)24/h3-9H,1-2H3,(H,23,24)(H3,18,19,20,21)