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

Systemtic Name: ethanethiol; 8-nitro-3-oxa-5-azabicyclo[4.2.2]deca-1(8),6,9-trien-4-one Openeye Name: ethanethiol; 8-nitro-3-oxa-5-azabicyclo[4.2.2]deca-1(8),6,9-trien-4-one CAS Name: ethanethiol; 8-nitro-3-oxa-5-azabicyclo[4.2.2]deca-1(8),6,9-trien-4-one IUPAC Name: ethanethiol; 8-nitro-3-oxa-5-azabicyclo[4.2.2]deca-1(8),6,9-trien-4-one Traditional Name: ethanethiol; 8-nitro-3-oxa-5-azabicyclo[4.2.2]deca-1(8),6,9-trien-4-one Formula: C10H12N2O4S MolecularWeight: 256.27828

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Descriptors Computed from Structure

Canonical SMILES:

CCS.C1C2=C(C=C(C=C2)NC(=O)O1)[N+](=O)[O-]

Isomeric SMILES

CCS.C1C2=C(C=C(C=C2)NC(=O)O1)[N+](=O)[O-]

InChI

InChI=1S/C8H6N2O4.C2H6S/c11-8-9-6-2-1-5(4-14-8)7(3-6)10(12)13;1-2-3/h1-3H,4H2,(H,9,11);3H,2H2,1H3