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

Systemtic Name: 3-[(3-methoxy-4-oxidanyl-phenyl)methylamino]-1H-pyrazole-5-carboxylic acid Openeye Name: 3-[(4-hydroxy-3-methoxy-phenyl)methylamino]-1H-pyrazole-5-carboxylic acid CAS Name: 3-[(4-hydroxy-3-methoxyphenyl)methylamino]-1H-pyrazole-5-carboxylic acid IUPAC Name: 3-[(4-hydroxy-3-methoxyphenyl)methylamino]-1H-pyrazole-5-carboxylic acid Traditional Name: 3-(vanillylamino)-1H-pyrazole-5-carboxylic acid Formula: C12H13N3O4 MolecularWeight: 263.24932

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CNC2=NNC(=C2)C(=O)O)O

Isomeric SMILES

COC1=C(C=CC(=C1)CNC2=NNC(=C2)C(=O)O)O

InChI

InChI=1S/C12H13N3O4/c1-19-10-4-7(2-3-9(10)16)6-13-11-5-8(12(17)18)14-15-11/h2-5,16H,6H2,1H3,(H,17,18)(H2,13,14,15)