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

Systemtic Name: 9-(4-methylphenyl)sulfanyl-7-nitro-5H-benzo[b][1,4]benzoxazepin-6-one Openeye Name: 7-nitro-9-(p-tolylsulfanyl)-5H-benzo[b][1,4]benzoxazepin-6-one CAS Name: 9-[(4-methylphenyl)thio]-7-nitro-5H-benzo[b][1,4]benzoxazepin-6-one IUPAC Name: 9-(4-methylphenyl)sulfanyl-7-nitro-5H-benzo[b][1,4]benzoxazepin-6-one Traditional Name: 7-nitro-9-(p-tolylthio)-5H-benzo[b][1,4]benzoxazepin-6-one Formula: C20H14N2O4S MolecularWeight: 378.40116

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=CC3=C(C(=C2)[N+](=O)[O-])C(=O)NC4=CC=CC=C4O3

Isomeric SMILES

CC1=CC=C(C=C1)SC2=CC3=C(C(=C2)[N+](=O)[O-])C(=O)NC4=CC=CC=C4O3

InChI

InChI=1S/C20H14N2O4S/c1-12-6-8-13(9-7-12)27-14-10-16(22(24)25)19-18(11-14)26-17-5-3-2-4-15(17)21-20(19)23/h2-11H,1H3,(H,21,23)