6-(3-nitropropanoyl)-1,2-benzothiazol-3-one

Systemtic Name: 6-(3-nitropropanoyl)-1,2-benzothiazol-3-one Openeye Name: 6-(3-nitropropanoyl)-1,2-benzothiazol-3-one CAS Name: 6-(3-nitro-1-oxopropyl)-1,2-benzothiazol-3-one IUPAC Name: 6-(3-nitropropanoyl)-1,2-benzothiazol-3-one Traditional Name: 6-(3-nitropropanoyl)-1,2-benzothiazol-3-one Formula: C10H8N2O4S MolecularWeight: 252.24652

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C(=O)CC[N+](=O)[O-])SNC2=O

Isomeric SMILES

C1=CC2=C(C=C1C(=O)CC[N+](=O)[O-])SNC2=O

InChI

InChI=1S/C10H8N2O4S/c13-8(3-4-12(15)16)6-1-2-7-9(5-6)17-11-10(7)14/h1-2,5H,3-4H2,(H,11,14)