7-[2,4-bis(bromanyl)phenoxy]-5-butyl-9-nitro-benzo[b][1,4]benzoxazepin-6-one

Systemtic Name: 7-[2,4-bis(bromanyl)phenoxy]-5-butyl-9-nitro-benzo[b][1,4]benzoxazepin-6-one Openeye Name: 5-butyl-7-(2,4-dibromophenoxy)-9-nitro-benzo[b][1,4]benzoxazepin-6-one CAS Name: 5-butyl-7-(2,4-dibromophenoxy)-9-nitro-6-benzo[b][1,4]benzoxazepinone IUPAC Name: 5-butyl-7-(2,4-dibromophenoxy)-9-nitrobenzo[b][1,4]benzoxazepin-6-one Traditional Name: 5-butyl-7-(2,4-dibromophenoxy)-9-nitro-benzo[b][1,4]benzoxazepin-6-one Formula: C23H18Br2N2O5 MolecularWeight: 562.20742

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=CC=CC=C2OC3=C(C1=O)C(=CC(=C3)[N+](=O)[O-])OC4=C(C=C(C=C4)Br)Br

Isomeric SMILES

CCCCN1C2=CC=CC=C2OC3=C(C1=O)C(=CC(=C3)[N+](=O)[O-])OC4=C(C=C(C=C4)Br)Br

InChI

InChI=1S/C23H18Br2N2O5/c1-2-3-10-26-17-6-4-5-7-19(17)32-21-13-15(27(29)30)12-20(22(21)23(26)28)31-18-9-8-14(24)11-16(18)25/h4-9,11-13H,2-3,10H2,1H3