(4-nitrophenyl)methyl 3-methyl-4-methylsulfonyloxy-pyrrolidine-1-carboxylate; (4-nitrophenyl)methyl N-[(2-phenylphenyl)methyl]carbamate

Systemtic Name: (4-nitrophenyl)methyl 3-methyl-4-methylsulfonyloxy-pyrrolidine-1-carboxylate; (4-nitrophenyl)methyl N-[(2-phenylphenyl)methyl]carbamate Openeye Name: (4-nitrophenyl)methyl 3-methyl-4-methylsulfonyloxy-pyrrolidine-1-carboxylate; (4-nitrophenyl)methyl N-[(2-phenylphenyl)methyl]carbamate CAS Name: 3-methyl-4-methylsulfonyloxy-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester; N-[(2-phenylphenyl)methyl]carbamic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 3-methyl-4-methylsulfonyloxypyrrolidine-1-carboxylate; (4-nitrophenyl)methyl N-[(2-phenylphenyl)methyl]carbamate Traditional Name: 3-methyl-4-methylsulfonyloxy-pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester; N-(2-phenylbenzyl)carbamic acid (4-nitrobenzyl) ester Formula: C35H36N4O11S MolecularWeight: 720.74554

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC1OS(=O)(=O)C)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-].C1=CC=C(C=C1)C2=CC=CC=C2CNC(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1CN(CC1OS(=O)(=O)C)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-].C1=CC=C(C=C1)C2=CC=CC=C2CNC(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H18N2O4.C14H18N2O7S/c24-21(27-15-16-10-12-19(13-11-16)23(25)26)22-14-18-8-4-5-9-20(18)17-6-2-1-3-7-17;1-10-7-15(8-13(10)23-24(2,20)21)14(17)22-9-11-3-5-12(6-4-11)16(18)19/h1-13H,14-15H2,(H,22,24);3-6,10,13H,7-9H2,1-2H3