(2R)-2-[(1S)-2-nitro-1-phenyl-ethyl]pent-4-enal

Systemtic Name: (2R)-2-[(1S)-2-nitro-1-phenyl-ethyl]pent-4-enal Openeye Name: (2R)-2-[(1S)-2-nitro-1-phenyl-ethyl]pent-4-enal CAS Name: (2R)-2-[(1S)-2-nitro-1-phenylethyl]-4-pentenal IUPAC Name: (2R)-2-[(1S)-2-nitro-1-phenylethyl]pent-4-enal Traditional Name: (2R)-2-[(1S)-2-nitro-1-phenyl-ethyl]pent-4-enal Formula: C13H15NO3 MolecularWeight: 233.2631

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15NO3/c1-2-6-12(10-15)13(9-14(16)17)11-7-4-3-5-8-11/h2-5,7-8,10,12-13H,1,6,9H2/t12-,13+/m0/s1