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

Systemtic Name: 3-[(3-ethoxy-4-oxidanyl-phenyl)methylamino]-1H-pyrazole-5-carboxylic acid Openeye Name: 3-[(3-ethoxy-4-hydroxy-phenyl)methylamino]-1H-pyrazole-5-carboxylic acid CAS Name: 3-[(3-ethoxy-4-hydroxyphenyl)methylamino]-1H-pyrazole-5-carboxylic acid IUPAC Name: 3-[(3-ethoxy-4-hydroxyphenyl)methylamino]-1H-pyrazole-5-carboxylic acid Traditional Name: 3-[(3-ethoxy-4-hydroxy-benzyl)amino]-1H-pyrazole-5-carboxylic acid Formula: C13H15N3O4 MolecularWeight: 277.2759

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)CNC2=NNC(=C2)C(=O)O)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)CNC2=NNC(=C2)C(=O)O)O

InChI

InChI=1S/C13H15N3O4/c1-2-20-11-5-8(3-4-10(11)17)7-14-12-6-9(13(18)19)15-16-12/h3-6,17H,2,7H2,1H3,(H,18,19)(H2,14,15,16)