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

Systemtic Name: 7-nitro-9-(phenylmethylsulfanyl)-5H-benzo[b][1,4]benzoxazepin-6-one Openeye Name: 9-benzylsulfanyl-7-nitro-5H-benzo[b][1,4]benzoxazepin-6-one CAS Name: 7-nitro-9-(phenylmethylthio)-5H-benzo[b][1,4]benzoxazepin-6-one IUPAC Name: 9-benzylsulfanyl-7-nitro-5H-benzo[b][1,4]benzoxazepin-6-one Traditional Name: 9-(benzylthio)-7-nitro-5H-benzo[b][1,4]benzoxazepin-6-one Formula: C20H14N2O4S MolecularWeight: 378.40116

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=CC3=C(C(=C2)[N+](=O)[O-])C(=O)NC4=CC=CC=C4O3

Isomeric SMILES

C1=CC=C(C=C1)CSC2=CC3=C(C(=C2)[N+](=O)[O-])C(=O)NC4=CC=CC=C4O3

InChI

InChI=1S/C20H14N2O4S/c23-20-19-16(22(24)25)10-14(27-12-13-6-2-1-3-7-13)11-18(19)26-17-9-5-4-8-15(17)21-20/h1-11H,12H2,(H,21,23)