(2R,3S)-4-nitro-3-phenyl-2-propan-2-yl-butanal

Systemtic Name: (2R,3S)-4-nitro-3-phenyl-2-propan-2-yl-butanal Openeye Name: (2R,3S)-2-isopropyl-4-nitro-3-phenyl-butanal CAS Name: (2R,3S)-4-nitro-3-phenyl-2-propan-2-ylbutanal IUPAC Name: (2R,3S)-4-nitro-3-phenyl-2-propan-2-ylbutanal Traditional Name: (2R,3S)-2-isopropyl-4-nitro-3-phenyl-butyraldehyde Formula: C13H17NO3 MolecularWeight: 235.27898

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO3/c1-10(2)13(9-15)12(8-14(16)17)11-6-4-3-5-7-11/h3-7,9-10,12-13H,8H2,1-2H3/t12-,13-/m1/s1