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

Systemtic Name: 5-butyl-9-nitro-7-[4-(3-oxidanylidenebutyl)phenoxy]benzo[b][1,4]benzoxazepin-6-one Openeye Name: 5-butyl-9-nitro-7-[4-(3-oxobutyl)phenoxy]benzo[b][1,4]benzoxazepin-6-one CAS Name: 5-butyl-9-nitro-7-[4-(3-oxobutyl)phenoxy]-6-benzo[b][1,4]benzoxazepinone IUPAC Name: 5-butyl-9-nitro-7-[4-(3-oxobutyl)phenoxy]benzo[b][1,4]benzoxazepin-6-one Traditional Name: 5-butyl-7-[4-(3-ketobutyl)phenoxy]-9-nitro-benzo[b][1,4]benzoxazepin-6-one Formula: C27H26N2O6 MolecularWeight: 474.50514

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H26N2O6/c1-3-4-15-28-22-7-5-6-8-23(22)35-25-17-20(29(32)33)16-24(26(25)27(28)31)34-21-13-11-19(12-14-21)10-9-18(2)30/h5-8,11-14,16-17H,3-4,9-10,15H2,1-2H3