1-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-nitro-phenyl]piperidine-2,6-dione

Systemtic Name: 1-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-nitro-phenyl]piperidine-2,6-dione Openeye Name: 1-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-nitro-phenyl]piperidine-2,6-dione CAS Name: 1-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-nitrophenyl]piperidine-2,6-dione IUPAC Name: 1-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-nitrophenyl]piperidine-2,6-dione Traditional Name: 1-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-nitro-phenyl]piperidine-2,6-quinone Formula: C20H19N3O4 MolecularWeight: 365.38256

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C(=O)C1)C2=CC(=C(C=C2)N3CCC4=CC=CC=C4C3)[N+](=O)[O-]

Isomeric SMILES

C1CC(=O)N(C(=O)C1)C2=CC(=C(C=C2)N3CCC4=CC=CC=C4C3)[N+](=O)[O-]

InChI

InChI=1S/C20H19N3O4/c24-19-6-3-7-20(25)22(19)16-8-9-17(18(12-16)23(26)27)21-11-10-14-4-1-2-5-15(14)13-21/h1-2,4-5,8-9,12H,3,6-7,10-11,13H2