7-nitro-3-oxa-5-azabicyclo[4.2.2]deca-1(8),6,9-trien-4-one; propanethioic S-acid

Systemtic Name: 7-nitro-3-oxa-5-azabicyclo[4.2.2]deca-1(8),6,9-trien-4-one; propanethioic S-acid Openeye Name: 7-nitro-3-oxa-5-azabicyclo[4.2.2]deca-1(8),6,9-trien-4-one; propanethioic S-acid CAS Name: 7-nitro-3-oxa-5-azabicyclo[4.2.2]deca-1(8),6,9-trien-4-one; propanethioic S-acid IUPAC Name: 7-nitro-3-oxa-5-azabicyclo[4.2.2]deca-1(8),6,9-trien-4-one; propanethioic S-acid Traditional Name: 7-nitro-3-oxa-5-azabicyclo[4.2.2]deca-1(8),6,9-trien-4-one; thiopropionic acid Formula: C11H12N2O5S MolecularWeight: 284.28838

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)S.C1C2=CC(=C(C=C2)NC(=O)O1)[N+](=O)[O-]

Isomeric SMILES

CCC(=O)S.C1C2=CC(=C(C=C2)NC(=O)O1)[N+](=O)[O-]

InChI

InChI=1S/C8H6N2O4.C3H6OS/c11-8-9-6-2-1-5(4-14-8)3-7(6)10(12)13;1-2-3(4)5/h1-3H,4H2,(H,9,11);2H2,1H3,(H,4,5)