9-nitro-7-[4-(3-oxidanylidenebutyl)phenoxy]-5H-benzo[b][1,4]benzoxazepin-6-one

Systemtic Name: 9-nitro-7-[4-(3-oxidanylidenebutyl)phenoxy]-5H-benzo[b][1,4]benzoxazepin-6-one Openeye Name: 9-nitro-7-[4-(3-oxobutyl)phenoxy]-5H-benzo[b][1,4]benzoxazepin-6-one CAS Name: 9-nitro-7-[4-(3-oxobutyl)phenoxy]-5H-benzo[b][1,4]benzoxazepin-6-one IUPAC Name: 9-nitro-7-[4-(3-oxobutyl)phenoxy]-5H-benzo[b][1,4]benzoxazepin-6-one Traditional Name: 7-[4-(3-ketobutyl)phenoxy]-9-nitro-5H-benzo[b][1,4]benzoxazepin-6-one Formula: C23H18N2O6 MolecularWeight: 418.39882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC1=CC=C(C=C1)OC2=CC(=CC3=C2C(=O)NC4=CC=CC=C4O3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)CCC1=CC=C(C=C1)OC2=CC(=CC3=C2C(=O)NC4=CC=CC=C4O3)[N+](=O)[O-]

InChI

InChI=1S/C23H18N2O6/c1-14(26)6-7-15-8-10-17(11-9-15)30-20-12-16(25(28)29)13-21-22(20)23(27)24-18-4-2-3-5-19(18)31-21/h2-5,8-13H,6-7H2,1H3,(H,24,27)