1-(4-methyl-2-nitro-phenyl)-2-oxidanyl-butane-1,3-dione

Systemtic Name: 1-(4-methyl-2-nitro-phenyl)-2-oxidanyl-butane-1,3-dione Openeye Name: 2-hydroxy-1-(4-methyl-2-nitro-phenyl)butane-1,3-dione CAS Name: 2-hydroxy-1-(4-methyl-2-nitrophenyl)butane-1,3-dione IUPAC Name: 2-hydroxy-1-(4-methyl-2-nitrophenyl)butane-1,3-dione Traditional Name: 2-hydroxy-1-(4-methyl-2-nitro-phenyl)butane-1,3-dione Formula: C11H11NO5 MolecularWeight: 237.20874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H11NO5/c1-6-3-4-8(9(5-6)12(16)17)11(15)10(14)7(2)13/h3-5,10,14H,1-2H3