8-nitro-11,11-bis(oxidanylidene)-5H-benzo[b][1,4]benzothiazepin-6-one

Systemtic Name: 8-nitro-11,11-bis(oxidanylidene)-5H-benzo[b][1,4]benzothiazepin-6-one Openeye Name: 8-nitro-11,11-dioxo-5H-benzo[b][1,4]benzothiazepin-6-one CAS Name: 8-nitro-11,11-dioxo-5H-benzo[b][1,4]benzothiazepin-6-one IUPAC Name: 8-nitro-11,11-dioxo-5H-benzo[b][1,4]benzothiazepin-6-one Traditional Name: 11,11-diketo-8-nitro-5H-benzo[b][1,4]benzothiazepin-6-one Formula: C13H8N2O5S MolecularWeight: 304.27802

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=O)C3=C(S2(=O)=O)C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)NC(=O)C3=C(S2(=O)=O)C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C13H8N2O5S/c16-13-9-7-8(15(17)18)5-6-11(9)21(19,20)12-4-2-1-3-10(12)14-13/h1-7H,(H,14,16)