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

Systemtic Name: 2-(2,3,4,4a,9,9a-hexahydro-1H-acridin-10-ylmethyl)-4-nitro-isoindole-1,3-dione Openeye Name: 2-(2,3,4,4a,9,9a-hexahydro-1H-acridin-10-ylmethyl)-4-nitro-isoindoline-1,3-dione CAS Name: 2-(2,3,4,4a,9,9a-hexahydro-1H-acridin-10-ylmethyl)-4-nitroisoindole-1,3-dione IUPAC Name: 2-(2,3,4,4a,9,9a-hexahydro-1H-acridin-10-ylmethyl)-4-nitroisoindole-1,3-dione Traditional Name: 2-(2,3,4,4a,9,9a-hexahydro-1H-acridin-10-ylmethyl)-4-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(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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