4-[(3,5-dimethoxy-4-oxidanyl-phenyl)methylamino]-1-methyl-pyrazole-3-carboxylate

Systemtic Name: 4-[(3,5-dimethoxy-4-oxidanyl-phenyl)methylamino]-1-methyl-pyrazole-3-carboxylate Openeye Name: 4-[(4-hydroxy-3,5-dimethoxy-phenyl)methylamino]-1-methyl-pyrazole-3-carboxylate CAS Name: 4-[(4-hydroxy-3,5-dimethoxyphenyl)methylamino]-1-methyl-3-pyrazolecarboxylate IUPAC Name: 4-[(4-hydroxy-3,5-dimethoxyphenyl)methylamino]-1-methylpyrazole-3-carboxylate Traditional Name: 4-[(4-hydroxy-3,5-dimethoxy-benzyl)amino]-1-methyl-pyrazole-3-carboxylate Formula: C14H16N3O5- MolecularWeight: 306.29394

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C(=O)[O-])NCC2=CC(=C(C(=C2)OC)O)OC

Isomeric SMILES

CN1C=C(C(=N1)C(=O)[O-])NCC2=CC(=C(C(=C2)OC)O)OC

InChI

InChI=1S/C14H17N3O5/c1-17-7-9(12(16-17)14(19)20)15-6-8-4-10(21-2)13(18)11(5-8)22-3/h4-5,7,15,18H,6H2,1-3H3,(H,19,20)/p-1