2-[(S)-(3-nitrophenyl)-oxidanyl-methyl]cyclohex-2-en-1-one

Systemtic Name: 2-[(S)-(3-nitrophenyl)-oxidanyl-methyl]cyclohex-2-en-1-one Openeye Name: 2-[(S)-hydroxy-(3-nitrophenyl)methyl]cyclohex-2-en-1-one CAS Name: 2-[(S)-hydroxy-(3-nitrophenyl)methyl]-1-cyclohex-2-enone IUPAC Name: 2-[(S)-hydroxy-(3-nitrophenyl)methyl]cyclohex-2-en-1-one Traditional Name: 2-[(S)-hydroxy-(3-nitrophenyl)methyl]cyclohex-2-en-1-one Formula: C13H13NO4 MolecularWeight: 247.24662

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Descriptors Computed from Structure

Canonical SMILES:

C1CC=C(C(=O)C1)C(C2=CC(=CC=C2)[N+](=O)[O-])O

Isomeric SMILES

C1CC=C(C(=O)C1)[C@H](C2=CC(=CC=C2)[N+](=O)[O-])O

InChI

InChI=1S/C13H13NO4/c15-12-7-2-1-6-11(12)13(16)9-4-3-5-10(8-9)14(17)18/h3-6,8,13,16H,1-2,7H2/t13-/m0/s1