1-(5-ethyl-3-nitro-2-oxidanyl-phenyl)propan-1-one

Systemtic Name: 1-(5-ethyl-3-nitro-2-oxidanyl-phenyl)propan-1-one Openeye Name: 1-(5-ethyl-2-hydroxy-3-nitro-phenyl)propan-1-one CAS Name: 1-(5-ethyl-2-hydroxy-3-nitrophenyl)-1-propanone IUPAC Name: 1-(5-ethyl-2-hydroxy-3-nitrophenyl)propan-1-one Traditional Name: 1-(5-ethyl-2-hydroxy-3-nitro-phenyl)propan-1-one Formula: C11H13NO4 MolecularWeight: 223.22522

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C(=C1)C(=O)CC)O)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC(=C(C(=C1)C(=O)CC)O)[N+](=O)[O-]

InChI

InChI=1S/C11H13NO4/c1-3-7-5-8(10(13)4-2)11(14)9(6-7)12(15)16/h5-6,14H,3-4H2,1-2H3