methyl 3-nitro-4-thiomorpholin-4-yl-benzoate

Systemtic Name: methyl 3-nitro-4-thiomorpholin-4-yl-benzoate Openeye Name: methyl 3-nitro-4-thiomorpholino-benzoate CAS Name: 3-nitro-4-thiomorpholin-4-ylbenzoic acid methyl ester IUPAC Name: methyl 3-nitro-4-thiomorpholin-4-ylbenzoate Traditional Name: 3-nitro-4-thiomorpholino-benzoic acid methyl ester Formula: C12H14N2O4S MolecularWeight: 282.31556

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)N2CCSCC2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)N2CCSCC2)[N+](=O)[O-]

InChI

InChI=1S/C12H14N2O4S/c1-18-12(15)9-2-3-10(11(8-9)14(16)17)13-4-6-19-7-5-13/h2-3,8H,4-7H2,1H3