(3,5-dimethyl-5-oxidanyl-4H-pyrazol-1-yl)-(2-nitrophenyl)methanone

Systemtic Name: (3,5-dimethyl-5-oxidanyl-4H-pyrazol-1-yl)-(2-nitrophenyl)methanone Openeye Name: (5-hydroxy-3,5-dimethyl-4H-pyrazol-1-yl)-(2-nitrophenyl)methanone CAS Name: (5-hydroxy-3,5-dimethyl-4H-pyrazol-1-yl)-(2-nitrophenyl)methanone IUPAC Name: (5-hydroxy-3,5-dimethyl-4H-pyrazol-1-yl)-(2-nitrophenyl)methanone Traditional Name: (5-hydroxy-3,5-dimethyl-2-pyrazolin-1-yl)-(2-nitrophenyl)methanone Formula: C12H13N3O4 MolecularWeight: 263.24932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(C1)(C)O)C(=O)C2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CC1=NN(C(C1)(C)O)C(=O)C2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C12H13N3O4/c1-8-7-12(2,17)14(13-8)11(16)9-5-3-4-6-10(9)15(18)19/h3-6,17H,7H2,1-2H3