(2R,5S)-2,5-bis(4-methylphenyl)-3-nitro-1-prop-2-ynyl-2,5-dihydropyrrole

Systemtic Name: (2R,5S)-2,5-bis(4-methylphenyl)-3-nitro-1-prop-2-ynyl-2,5-dihydropyrrole Openeye Name: (2R,5S)-3-nitro-1-prop-2-ynyl-2,5-bis(p-tolyl)-2,5-dihydropyrrole CAS Name: (2R,5S)-2,5-bis(4-methylphenyl)-3-nitro-1-prop-2-ynyl-2,5-dihydropyrrole IUPAC Name: (2R,5S)-2,5-bis(4-methylphenyl)-3-nitro-1-prop-2-ynyl-2,5-dihydropyrrole Traditional Name: (2R,5S)-3-nitro-1-propargyl-2,5-bis(p-tolyl)-3-pyrroline Formula: C21H20N2O2 MolecularWeight: 332.3957

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2C=C(C(N2CC#C)C3=CC=C(C=C3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)[C@@H]2C=C([C@H](N2CC#C)C3=CC=C(C=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C21H20N2O2/c1-4-13-22-19(17-9-5-15(2)6-10-17)14-20(23(24)25)21(22)18-11-7-16(3)8-12-18/h1,5-12,14,19,21H,13H2,2-3H3/t19-,21+/m0/s1