(E)-4-methyl-1-(3-nitrophenyl)-4-oxidanyl-pent-1-en-3-one

Systemtic Name: (E)-4-methyl-1-(3-nitrophenyl)-4-oxidanyl-pent-1-en-3-one Openeye Name: (E)-4-hydroxy-4-methyl-1-(3-nitrophenyl)pent-1-en-3-one CAS Name: (E)-4-hydroxy-4-methyl-1-(3-nitrophenyl)-1-penten-3-one IUPAC Name: (E)-4-hydroxy-4-methyl-1-(3-nitrophenyl)pent-1-en-3-one Traditional Name: (E)-4-hydroxy-4-methyl-1-(3-nitrophenyl)pent-1-en-3-one Formula: C12H13NO4 MolecularWeight: 235.23592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO4/c1-12(2,15)11(14)7-6-9-4-3-5-10(8-9)13(16)17/h3-8,15H,1-2H3/b7-6+