1-(3-methylphenyl)-3-nitro-2-oxidanyl-butan-1-one

Systemtic Name: 1-(3-methylphenyl)-3-nitro-2-oxidanyl-butan-1-one Openeye Name: 2-hydroxy-1-(m-tolyl)-3-nitro-butan-1-one CAS Name: 2-hydroxy-1-(3-methylphenyl)-3-nitro-1-butanone IUPAC Name: 2-hydroxy-1-(3-methylphenyl)-3-nitrobutan-1-one Traditional Name: 2-hydroxy-1-(m-tolyl)-3-nitro-butan-1-one Formula: C11H13NO4 MolecularWeight: 223.22522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13NO4/c1-7-4-3-5-9(6-7)11(14)10(13)8(2)12(15)16/h3-6,8,10,13H,1-2H3