2-[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxidanylidene-propan-2-yl]-4-nitro-isoindole-1,3-dione

Systemtic Name: 2-[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxidanylidene-propan-2-yl]-4-nitro-isoindole-1,3-dione Openeye Name: 2-[2-(3,4-dihydro-2H-quinolin-1-yl)-1-methyl-2-oxo-ethyl]-4-nitro-isoindoline-1,3-dione CAS Name: 2-[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]-4-nitroisoindole-1,3-dione IUPAC Name: 2-[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]-4-nitroisoindole-1,3-dione Traditional Name: 2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-keto-1-methyl-ethyl]-4-nitro-isoindoline-1,3-quinone Formula: C20H17N3O5 MolecularWeight: 379.36608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCC2=CC=CC=C21)N3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)N1CCCC2=CC=CC=C21)N3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H17N3O5/c1-12(18(24)21-11-5-7-13-6-2-3-9-15(13)21)22-19(25)14-8-4-10-16(23(27)28)17(14)20(22)26/h2-4,6,8-10,12H,5,7,11H2,1H3