1-(3-nitro-5-propyl-phenyl)-2-oxidanyl-ethanone

Systemtic Name: 1-(3-nitro-5-propyl-phenyl)-2-oxidanyl-ethanone Openeye Name: 2-hydroxy-1-(3-nitro-5-propyl-phenyl)ethanone CAS Name: 2-hydroxy-1-(3-nitro-5-propylphenyl)ethanone IUPAC Name: 2-hydroxy-1-(3-nitro-5-propylphenyl)ethanone Traditional Name: 2-hydroxy-1-(3-nitro-5-propyl-phenyl)ethanone Formula: C11H13NO4 MolecularWeight: 223.22522

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=CC(=C1)C(=O)CO)[N+](=O)[O-]

Isomeric SMILES

CCCC1=CC(=CC(=C1)C(=O)CO)[N+](=O)[O-]

InChI

InChI=1S/C11H13NO4/c1-2-3-8-4-9(11(14)7-13)6-10(5-8)12(15)16/h4-6,13H,2-3,7H2,1H3