5-(3,4-dimethoxy-5-nitro-phenyl)-2-methyl-1H-pyrazol-3-one

Systemtic Name: 5-(3,4-dimethoxy-5-nitro-phenyl)-2-methyl-1H-pyrazol-3-one Openeye Name: 5-(3,4-dimethoxy-5-nitro-phenyl)-2-methyl-1H-pyrazol-3-one CAS Name: 5-(3,4-dimethoxy-5-nitrophenyl)-2-methyl-1H-pyrazol-3-one IUPAC Name: 5-(3,4-dimethoxy-5-nitrophenyl)-2-methyl-1H-pyrazol-3-one Traditional Name: 5-(3,4-dimethoxy-5-nitro-phenyl)-2-methyl-3-pyrazolin-3-one Formula: C12H13N3O5 MolecularWeight: 279.24872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13N3O5/c1-14-11(16)6-8(13-14)7-4-9(15(17)18)12(20-3)10(5-7)19-2/h4-6,13H,1-3H3