2-[(2S)-1-nitro-4-phenyl-butan-2-yl]-1H-pyrrole

Systemtic Name: 2-[(2S)-1-nitro-4-phenyl-butan-2-yl]-1H-pyrrole Openeye Name: 2-[(1S)-1-(nitromethyl)-3-phenyl-propyl]-1H-pyrrole CAS Name: 2-[(2S)-1-nitro-4-phenylbutan-2-yl]-1H-pyrrole IUPAC Name: 2-[(2S)-1-nitro-4-phenylbutan-2-yl]-1H-pyrrole Traditional Name: 2-[(1S)-1-(nitromethyl)-3-phenyl-propyl]-1H-pyrrole Formula: C14H16N2O2 MolecularWeight: 244.28904

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(C[N+](=O)[O-])C2=CC=CN2

Isomeric SMILES

C1=CC=C(C=C1)CC[C@@H](C[N+](=O)[O-])C2=CC=CN2

InChI

InChI=1S/C14H16N2O2/c17-16(18)11-13(14-7-4-10-15-14)9-8-12-5-2-1-3-6-12/h1-7,10,13,15H,8-9,11H2/t13-/m0/s1