(3S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(4-nitrophenyl)pyrrolidine-2,5-dione

Systemtic Name: (3S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(4-nitrophenyl)pyrrolidine-2,5-dione Openeye Name: (3S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(4-nitrophenyl)pyrrolidine-2,5-dione CAS Name: (3S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(4-nitrophenyl)pyrrolidine-2,5-dione IUPAC Name: (3S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(4-nitrophenyl)pyrrolidine-2,5-dione Traditional Name: (3S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(4-nitrophenyl)pyrrolidine-2,5-quinone Formula: C19H17N3O4 MolecularWeight: 351.35598

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C3CC(=O)N(C3=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC2=CC=CC=C21)[C@H]3CC(=O)N(C3=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H17N3O4/c23-18-11-17(20-10-9-13-3-1-2-4-14(13)12-20)19(24)21(18)15-5-7-16(8-6-15)22(25)26/h1-8,17H,9-12H2/t17-/m0/s1