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

Systemtic Name: (2R,3S)-3-(4-bromophenyl)-4-nitro-2-propan-2-yl-butanal Openeye Name: (2R,3S)-3-(4-bromophenyl)-2-isopropyl-4-nitro-butanal CAS Name: (2R,3S)-3-(4-bromophenyl)-4-nitro-2-propan-2-ylbutanal IUPAC Name: (2R,3S)-3-(4-bromophenyl)-4-nitro-2-propan-2-ylbutanal Traditional Name: (2R,3S)-3-(4-bromophenyl)-2-isopropyl-4-nitro-butyraldehyde Formula: C13H16BrNO3 MolecularWeight: 314.17504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16BrNO3/c1-9(2)13(8-16)12(7-15(17)18)10-3-5-11(14)6-4-10/h3-6,8-9,12-13H,7H2,1-2H3/t12-,13-/m1/s1