(3R)-3-(4-chlorophenyl)-2,2-dimethyl-4-nitro-butanal

Systemtic Name: (3R)-3-(4-chlorophenyl)-2,2-dimethyl-4-nitro-butanal Openeye Name: (3R)-3-(4-chlorophenyl)-2,2-dimethyl-4-nitro-butanal CAS Name: (3R)-3-(4-chlorophenyl)-2,2-dimethyl-4-nitrobutanal IUPAC Name: (3R)-3-(4-chlorophenyl)-2,2-dimethyl-4-nitrobutanal Traditional Name: (3R)-3-(4-chlorophenyl)-2,2-dimethyl-4-nitro-butyraldehyde Formula: C12H14ClNO3 MolecularWeight: 255.69746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14ClNO3/c1-12(2,8-15)11(7-14(16)17)9-3-5-10(13)6-4-9/h3-6,8,11H,7H2,1-2H3/t11-/m1/s1