4-[(3-methoxy-4-oxidanyl-phenyl)methylamino]-2-methyl-pyrazole-3-carboxylic acid

Systemtic Name: 4-[(3-methoxy-4-oxidanyl-phenyl)methylamino]-2-methyl-pyrazole-3-carboxylic acid Openeye Name: 4-[(4-hydroxy-3-methoxy-phenyl)methylamino]-2-methyl-pyrazole-3-carboxylic acid CAS Name: 4-[(4-hydroxy-3-methoxyphenyl)methylamino]-2-methyl-3-pyrazolecarboxylic acid IUPAC Name: 4-[(4-hydroxy-3-methoxyphenyl)methylamino]-2-methylpyrazole-3-carboxylic acid Traditional Name: 2-methyl-4-(vanillylamino)pyrazole-3-carboxylic acid Formula: C13H15N3O4 MolecularWeight: 277.2759

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C=N1)NCC2=CC(=C(C=C2)O)OC)C(=O)O

Isomeric SMILES

CN1C(=C(C=N1)NCC2=CC(=C(C=C2)O)OC)C(=O)O

InChI

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