8-methoxy-6-nitro-3,5-dihydro-2H-1,5-benzothiazepin-4-one

Systemtic Name: 8-methoxy-6-nitro-3,5-dihydro-2H-1,5-benzothiazepin-4-one Openeye Name: 8-methoxy-6-nitro-3,5-dihydro-2H-1,5-benzothiazepin-4-one CAS Name: 8-methoxy-6-nitro-3,5-dihydro-2H-1,5-benzothiazepin-4-one IUPAC Name: 8-methoxy-6-nitro-3,5-dihydro-2H-1,5-benzothiazepin-4-one Traditional Name: 8-methoxy-6-nitro-3,5-dihydro-2H-1,5-benzothiazepin-4-one Formula: C10H10N2O4S MolecularWeight: 254.2624

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C(=C1)[N+](=O)[O-])NC(=O)CCS2

Isomeric SMILES

COC1=CC2=C(C(=C1)[N+](=O)[O-])NC(=O)CCS2

InChI

InChI=1S/C10H10N2O4S/c1-16-6-4-7(12(14)15)10-8(5-6)17-3-2-9(13)11-10/h4-5H,2-3H2,1H3,(H,11,13)