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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C=O)C(C[N+](=O)[O-])C1=CC=CC=C1Cl

Isomeric SMILES

CC(C)(C=O)[C@H](C[N+](=O)[O-])C1=CC=CC=C1Cl

InChI

InChI=1S/C12H14ClNO3/c1-12(2,8-15)10(7-14(16)17)9-5-3-4-6-11(9)13/h3-6,8,10H,7H2,1-2H3/t10-/m1/s1