4-methyl-7-nitro-5H-1,4-benzothiazepin-3-one

Systemtic Name: 4-methyl-7-nitro-5H-1,4-benzothiazepin-3-one Openeye Name: 4-methyl-7-nitro-5H-1,4-benzothiazepin-3-one CAS Name: 4-methyl-7-nitro-5H-1,4-benzothiazepin-3-one IUPAC Name: 4-methyl-7-nitro-5H-1,4-benzothiazepin-3-one Traditional Name: 4-methyl-7-nitro-5H-1,4-benzothiazepin-3-one Formula: C10H10N2O3S MolecularWeight: 238.263

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC2=C(C=CC(=C2)[N+](=O)[O-])SCC1=O

Isomeric SMILES

CN1CC2=C(C=CC(=C2)[N+](=O)[O-])SCC1=O

InChI

InChI=1S/C10H10N2O3S/c1-11-5-7-4-8(12(14)15)2-3-9(7)16-6-10(11)13/h2-4H,5-6H2,1H3