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

Systemtic Name: 3-nitro-5H-benzo[b][1]benzothiepin-6-one Openeye Name: 3-nitro-5H-benzo[b][1]benzothiepin-6-one CAS Name: 3-nitro-5H-benzo[b][1]benzothiepin-6-one IUPAC Name: 3-nitro-5H-benzo[b][1]benzothiepin-6-one Traditional Name: 3-nitro-5H-benzo[b][1]benzothiepin-6-one Formula: C14H9NO3S MolecularWeight: 271.29116

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=CC(=C2)[N+](=O)[O-])SC3=CC=CC=C3C1=O

Isomeric SMILES

C1C2=C(C=CC(=C2)[N+](=O)[O-])SC3=CC=CC=C3C1=O

InChI

InChI=1S/C14H9NO3S/c16-12-8-9-7-10(15(17)18)5-6-13(9)19-14-4-2-1-3-11(12)14/h1-7H,8H2