9-bromanyl-3-nitro-5H-benzo[b][1]benzothiepin-6-one

Systemtic Name: 9-bromanyl-3-nitro-5H-benzo[b][1]benzothiepin-6-one Openeye Name: 9-bromo-3-nitro-5H-benzo[b][1]benzothiepin-6-one CAS Name: 9-bromo-3-nitro-5H-benzo[b][1]benzothiepin-6-one IUPAC Name: 9-bromo-3-nitro-5H-benzo[b][1]benzothiepin-6-one Traditional Name: 9-bromo-3-nitro-5H-benzo[b][1]benzothiepin-6-one Formula: C14H8BrNO3S MolecularWeight: 350.18722

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=CC(=C2)[N+](=O)[O-])SC3=C(C1=O)C=CC(=C3)Br

Isomeric SMILES

C1C2=C(C=CC(=C2)[N+](=O)[O-])SC3=C(C1=O)C=CC(=C3)Br

InChI

InChI=1S/C14H8BrNO3S/c15-9-1-3-11-12(17)6-8-5-10(16(18)19)2-4-13(8)20-14(11)7-9/h1-5,7H,6H2