5-methyl-1-phenyl-3-[(phenylmethyl)amino]pyrrolidin-2-one; 2,4,6-trinitrophenolate

Systemtic Name: 5-methyl-1-phenyl-3-[(phenylmethyl)amino]pyrrolidin-2-one; 2,4,6-trinitrophenolate Openeye Name: 3-(benzylamino)-5-methyl-1-phenyl-pyrrolidin-2-one; 2,4,6-trinitrophenolate CAS Name: 5-methyl-1-phenyl-3-[(phenylmethyl)amino]-2-pyrrolidinone; 2,4,6-trinitrophenolate IUPAC Name: 3-(benzylamino)-5-methyl-1-phenylpyrrolidin-2-one; 2,4,6-trinitrophenolate Traditional Name: 3-(benzylamino)-5-methyl-1-phenyl-2-pyrrolidone picrate Formula: C24H22N5O8- MolecularWeight: 508.46018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(=O)N1C2=CC=CC=C2)NCC3=CC=CC=C3.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1CC(C(=O)N1C2=CC=CC=C2)NCC3=CC=CC=C3.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H20N2O.C6H3N3O7/c1-14-12-17(19-13-15-8-4-2-5-9-15)18(21)20(14)16-10-6-3-7-11-16;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h2-11,14,17,19H,12-13H2,1H3;1-2,10H/p-1