3-nitro-7-thiabicyclo[2.2.1]hepta-1,3,5-triene; propyl ethanoate

Systemtic Name: 3-nitro-7-thiabicyclo[2.2.1]hepta-1,3,5-triene; propyl ethanoate Openeye Name: 3-nitro-7-thiabicyclo[2.2.1]hepta-1,3,5-triene; propyl acetate CAS Name: acetic acid propyl ester; 3-nitro-7-thiabicyclo[2.2.1]hepta-1,3,5-triene IUPAC Name: 3-nitro-7-thiabicyclo[2.2.1]hepta-1,3,5-triene; propyl acetate Traditional Name: acetic acid propyl ester; 3-nitro-7-thiabicyclo[2.2.1]hepta-1,3,5-triene Formula: C11H13NO4S MolecularWeight: 255.29022

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C.C1=CC2=C(C=C1S2)[N+](=O)[O-]

Isomeric SMILES

CCCOC(=O)C.C1=CC2=C(C=C1S2)[N+](=O)[O-]

InChI

InChI=1S/C6H3NO2S.C5H10O2/c8-7(9)5-3-4-1-2-6(5)10-4;1-3-4-7-5(2)6/h1-3H;3-4H2,1-2H3