3-[(3,5-dimethoxy-4-oxidanyl-phenyl)methylamino]-1H-pyrazole-5-carboxylic acid

Systemtic Name: 3-[(3,5-dimethoxy-4-oxidanyl-phenyl)methylamino]-1H-pyrazole-5-carboxylic acid Openeye Name: 3-[(4-hydroxy-3,5-dimethoxy-phenyl)methylamino]-1H-pyrazole-5-carboxylic acid CAS Name: 3-[(4-hydroxy-3,5-dimethoxyphenyl)methylamino]-1H-pyrazole-5-carboxylic acid IUPAC Name: 3-[(4-hydroxy-3,5-dimethoxyphenyl)methylamino]-1H-pyrazole-5-carboxylic acid Traditional Name: 3-[(4-hydroxy-3,5-dimethoxy-benzyl)amino]-1H-pyrazole-5-carboxylic acid Formula: C13H15N3O5 MolecularWeight: 293.2753

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)OC)CNC2=NNC(=C2)C(=O)O

Isomeric SMILES

COC1=CC(=CC(=C1O)OC)CNC2=NNC(=C2)C(=O)O

InChI

InChI=1S/C13H15N3O5/c1-20-9-3-7(4-10(21-2)12(9)17)6-14-11-5-8(13(18)19)15-16-11/h3-5,17H,6H2,1-2H3,(H,18,19)(H2,14,15,16)