(4-nitrophenyl)methyl 5-(azanyloxymethyl)-3-(triphenylmethyl)sulfanyl-2,3-dihydropyrrole-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 5-(azanyloxymethyl)-3-(triphenylmethyl)sulfanyl-2,3-dihydropyrrole-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 5-(aminooxymethyl)-3-tritylsulfanyl-2,3-dihydropyrrole-1-carboxylate CAS Name: 5-(aminooxymethyl)-3-[(triphenylmethyl)thio]-2,3-dihydropyrrole-1-carboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 5-(aminooxymethyl)-3-tritylsulfanyl-2,3-dihydropyrrole-1-carboxylate Traditional Name: 2-(aminooxymethyl)-4-(tritylthio)-2-pyrroline-1-carboxylic acid (4-nitrobenzyl) ester Formula: C32H29N3O5S MolecularWeight: 567.65476

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C=C(N1C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])CON)SC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1C(C=C(N1C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])CON)SC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C32H29N3O5S/c33-40-23-29-20-30(21-34(29)31(36)39-22-24-16-18-28(19-17-24)35(37)38)41-32(25-10-4-1-5-11-25,26-12-6-2-7-13-26)27-14-8-3-9-15-27/h1-20,30H,21-23,33H2