2-(6,11-dihydro-5H-benzo[c][1]benzazepin-6-ylmethyl)-5-nitro-isoindole-1,3-dione

Systemtic Name: 2-(6,11-dihydro-5H-benzo[c][1]benzazepin-6-ylmethyl)-5-nitro-isoindole-1,3-dione Openeye Name: 2-(6,11-dihydro-5H-benzo[c][1]benzazepin-6-ylmethyl)-5-nitro-isoindoline-1,3-dione CAS Name: 2-(6,11-dihydro-5H-benzo[c][1]benzazepin-6-ylmethyl)-5-nitroisoindole-1,3-dione IUPAC Name: 2-(6,11-dihydro-5H-benzo[c][1]benzazepin-6-ylmethyl)-5-nitroisoindole-1,3-dione Traditional Name: 2-(6,11-dihydro-5H-benzo[c][1]benzazepin-6-ylmethyl)-5-nitro-isoindoline-1,3-quinone Formula: C23H17N3O4 MolecularWeight: 399.39878

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(NC3=CC=CC=C31)CN4C(=O)C5=C(C4=O)C=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC=CC=C2C(NC3=CC=CC=C31)CN4C(=O)C5=C(C4=O)C=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C23H17N3O4/c27-22-18-10-9-16(26(29)30)12-19(18)23(28)25(22)13-21-17-7-3-1-5-14(17)11-15-6-2-4-8-20(15)24-21/h1-10,12,21,24H,11,13H2