10-nitro-5H-benzo[b][1,4]benzothiazepin-6-one

Systemtic Name: 10-nitro-5H-benzo[b][1,4]benzothiazepin-6-one Openeye Name: 10-nitro-5H-benzo[b][1,4]benzothiazepin-6-one CAS Name: 10-nitro-5H-benzo[b][1,4]benzothiazepin-6-one IUPAC Name: 10-nitro-5H-benzo[b][1,4]benzothiazepin-6-one Traditional Name: 10-nitro-5H-benzo[b][1,4]benzothiazepin-6-one Formula: C13H8N2O3S MolecularWeight: 272.27922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H8N2O3S/c16-13-8-4-3-6-10(15(17)18)12(8)19-11-7-2-1-5-9(11)14-13/h1-7H,(H,14,16)