9-butylsulfanyl-7-nitro-5H-benzo[b][1,4]benzoxazepin-6-one

Systemtic Name: 9-butylsulfanyl-7-nitro-5H-benzo[b][1,4]benzoxazepin-6-one Openeye Name: 9-butylsulfanyl-7-nitro-5H-benzo[b][1,4]benzoxazepin-6-one CAS Name: 9-(butylthio)-7-nitro-5H-benzo[b][1,4]benzoxazepin-6-one IUPAC Name: 9-butylsulfanyl-7-nitro-5H-benzo[b][1,4]benzoxazepin-6-one Traditional Name: 9-(butylthio)-7-nitro-5H-benzo[b][1,4]benzoxazepin-6-one Formula: C17H16N2O4S MolecularWeight: 344.38494

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)NC3=CC=CC=C3O2

Isomeric SMILES

CCCCSC1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)NC3=CC=CC=C3O2

InChI

InChI=1S/C17H16N2O4S/c1-2-3-8-24-11-9-13(19(21)22)16-15(10-11)23-14-7-5-4-6-12(14)18-17(16)20/h4-7,9-10H,2-3,8H2,1H3,(H,18,20)