(5E)-5-[azanyl(oxidanyl)methylidene]-3-(phenylmethoxymethyl)-1H-pyrazol-4-one

Systemtic Name: (5E)-5-[azanyl(oxidanyl)methylidene]-3-(phenylmethoxymethyl)-1H-pyrazol-4-one Openeye Name: (5E)-5-[amino(hydroxy)methylene]-3-(benzyloxymethyl)-1H-pyrazol-4-one CAS Name: (5E)-5-[amino(hydroxy)methylidene]-3-(phenylmethoxymethyl)-1H-pyrazol-4-one IUPAC Name: (5E)-5-[amino(hydroxy)methylidene]-3-(phenylmethoxymethyl)-1H-pyrazol-4-one Traditional Name: (3E)-3-[amino(hydroxy)methylene]-5-(benzoxymethyl)-2-pyrazolin-4-one Formula: C12H13N3O3 MolecularWeight: 247.24992

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COCC2=NNC(=C(N)O)C2=O

Isomeric SMILES

C1=CC=C(C=C1)COCC2=NN/C(=C(\N)/O)/C2=O

InChI

InChI=1S/C12H13N3O3/c13-12(17)10-11(16)9(14-15-10)7-18-6-8-4-2-1-3-5-8/h1-5,15,17H,6-7,13H2/b12-10+