2-[(1S)-1-(4-methylphenyl)-2-nitro-ethyl]-1H-pyrrole

Systemtic Name: 2-[(1S)-1-(4-methylphenyl)-2-nitro-ethyl]-1H-pyrrole Openeye Name: 2-[(1S)-2-nitro-1-(p-tolyl)ethyl]-1H-pyrrole CAS Name: 2-[(1S)-1-(4-methylphenyl)-2-nitroethyl]-1H-pyrrole IUPAC Name: 2-[(1S)-1-(4-methylphenyl)-2-nitroethyl]-1H-pyrrole Traditional Name: 2-[(1S)-2-nitro-1-(p-tolyl)ethyl]-1H-pyrrole Formula: C13H14N2O2 MolecularWeight: 230.26246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C[N+](=O)[O-])C2=CC=CN2

Isomeric SMILES

CC1=CC=C(C=C1)[C@@H](C[N+](=O)[O-])C2=CC=CN2

InChI

InChI=1S/C13H14N2O2/c1-10-4-6-11(7-5-10)12(9-15(16)17)13-3-2-8-14-13/h2-8,12,14H,9H2,1H3/t12-/m1/s1