4-[(3-ethoxy-4-oxidanyl-phenyl)methylamino]-1-ethyl-pyrazole-3-carboxylate

Systemtic Name: 4-[(3-ethoxy-4-oxidanyl-phenyl)methylamino]-1-ethyl-pyrazole-3-carboxylate Openeye Name: 4-[(3-ethoxy-4-hydroxy-phenyl)methylamino]-1-ethyl-pyrazole-3-carboxylate CAS Name: 4-[(3-ethoxy-4-hydroxyphenyl)methylamino]-1-ethyl-3-pyrazolecarboxylate IUPAC Name: 4-[(3-ethoxy-4-hydroxyphenyl)methylamino]-1-ethylpyrazole-3-carboxylate Traditional Name: 4-[(3-ethoxy-4-hydroxy-benzyl)amino]-1-ethyl-pyrazole-3-carboxylate Formula: C15H18N3O4- MolecularWeight: 304.32112

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C(=O)[O-])NCC2=CC(=C(C=C2)O)OCC

Isomeric SMILES

CCN1C=C(C(=N1)C(=O)[O-])NCC2=CC(=C(C=C2)O)OCC

InChI

InChI=1S/C15H19N3O4/c1-3-18-9-11(14(17-18)15(20)21)16-8-10-5-6-12(19)13(7-10)22-4-2/h5-7,9,16,19H,3-4,8H2,1-2H3,(H,20,21)/p-1