2-(2,3,4,4a,9,9a-hexahydro-1H-acridin-10-ylmethyl)-5-nitro-isoindole-1,3-dione

Systemtic Name: 2-(2,3,4,4a,9,9a-hexahydro-1H-acridin-10-ylmethyl)-5-nitro-isoindole-1,3-dione Openeye Name: 2-(2,3,4,4a,9,9a-hexahydro-1H-acridin-10-ylmethyl)-5-nitro-isoindoline-1,3-dione CAS Name: 2-(2,3,4,4a,9,9a-hexahydro-1H-acridin-10-ylmethyl)-5-nitroisoindole-1,3-dione IUPAC Name: 2-(2,3,4,4a,9,9a-hexahydro-1H-acridin-10-ylmethyl)-5-nitroisoindole-1,3-dione Traditional Name: 2-(2,3,4,4a,9,9a-hexahydro-1H-acridin-10-ylmethyl)-5-nitro-isoindoline-1,3-quinone Formula: C22H21N3O4 MolecularWeight: 391.41984

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2C(C1)CC3=CC=CC=C3N2CN4C(=O)C5=C(C4=O)C=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1CCC2C(C1)CC3=CC=CC=C3N2CN4C(=O)C5=C(C4=O)C=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C22H21N3O4/c26-21-17-10-9-16(25(28)29)12-18(17)22(27)24(21)13-23-19-7-3-1-5-14(19)11-15-6-2-4-8-20(15)23/h1,3,5,7,9-10,12,15,20H,2,4,6,8,11,13H2