(3,5-dimethylpyrazol-1-yl)-(4-nitro-3-oxidanyl-phenyl)methanone

Systemtic Name: (3,5-dimethylpyrazol-1-yl)-(4-nitro-3-oxidanyl-phenyl)methanone Openeye Name: (3,5-dimethylpyrazol-1-yl)-(3-hydroxy-4-nitro-phenyl)methanone CAS Name: (3,5-dimethyl-1-pyrazolyl)-(3-hydroxy-4-nitrophenyl)methanone IUPAC Name: (3,5-dimethylpyrazol-1-yl)-(3-hydroxy-4-nitrophenyl)methanone Traditional Name: (3,5-dimethylpyrazol-1-yl)-(3-hydroxy-4-nitro-phenyl)methanone Formula: C12H11N3O4 MolecularWeight: 261.23344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C(=O)C2=CC(=C(C=C2)[N+](=O)[O-])O)C

Isomeric SMILES

CC1=CC(=NN1C(=O)C2=CC(=C(C=C2)[N+](=O)[O-])O)C

InChI

InChI=1S/C12H11N3O4/c1-7-5-8(2)14(13-7)12(17)9-3-4-10(15(18)19)11(16)6-9/h3-6,16H,1-2H3