(1R,2S,3S,4R)-2-(4-bromophenyl)-3-nitro-4-oxidanyl-cyclohexane-1-carbaldehyde

Systemtic Name: (1R,2S,3S,4R)-2-(4-bromophenyl)-3-nitro-4-oxidanyl-cyclohexane-1-carbaldehyde Openeye Name: (1R,2S,3S,4R)-2-(4-bromophenyl)-4-hydroxy-3-nitro-cyclohexanecarbaldehyde CAS Name: (1R,2S,3S,4R)-2-(4-bromophenyl)-4-hydroxy-3-nitro-1-cyclohexanecarboxaldehyde IUPAC Name: (1R,2S,3S,4R)-2-(4-bromophenyl)-4-hydroxy-3-nitrocyclohexane-1-carbaldehyde Traditional Name: (1R,2S,3S,4R)-2-(4-bromophenyl)-4-hydroxy-3-nitro-cyclohexanecarbaldehyde Formula: C13H14BrNO4 MolecularWeight: 328.15856

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(C(C1C=O)C2=CC=C(C=C2)Br)[N+](=O)[O-])O

Isomeric SMILES

C1C[C@H]([C@H]([C@@H]([C@@H]1C=O)C2=CC=C(C=C2)Br)[N+](=O)[O-])O

InChI

InChI=1S/C13H14BrNO4/c14-10-4-1-8(2-5-10)12-9(7-16)3-6-11(17)13(12)15(18)19/h1-2,4-5,7,9,11-13,17H,3,6H2/t9-,11+,12+,13+/m0/s1