(E,3R)-2,2-dimethyl-3-(nitromethyl)-5-phenyl-pent-4-enal

Systemtic Name: (E,3R)-2,2-dimethyl-3-(nitromethyl)-5-phenyl-pent-4-enal Openeye Name: (E,3R)-2,2-dimethyl-3-(nitromethyl)-5-phenyl-pent-4-enal CAS Name: (E,3R)-2,2-dimethyl-3-(nitromethyl)-5-phenyl-4-pentenal IUPAC Name: (E,3R)-2,2-dimethyl-3-(nitromethyl)-5-phenylpent-4-enal Traditional Name: (E,3R)-2,2-dimethyl-3-(nitromethyl)-5-phenyl-pent-4-enal Formula: C14H17NO3 MolecularWeight: 247.28968

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C=O)C(C[N+](=O)[O-])C=CC1=CC=CC=C1

Isomeric SMILES

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

InChI

InChI=1S/C14H17NO3/c1-14(2,11-16)13(10-15(17)18)9-8-12-6-4-3-5-7-12/h3-9,11,13H,10H2,1-2H3/b9-8+/t13-/m0/s1