(4-methylsulfanylphenyl)methyl 4-morpholin-4-yl-3-nitro-benzoate

Systemtic Name: (4-methylsulfanylphenyl)methyl 4-morpholin-4-yl-3-nitro-benzoate Openeye Name: (4-methylsulfanylphenyl)methyl 4-morpholino-3-nitro-benzoate CAS Name: 4-(4-morpholinyl)-3-nitrobenzoic acid [4-(methylthio)phenyl]methyl ester IUPAC Name: (4-methylsulfanylphenyl)methyl 4-morpholin-4-yl-3-nitrobenzoate Traditional Name: 4-morpholino-3-nitro-benzoic acid [4-(methylthio)benzyl] ester Formula: C19H20N2O5S MolecularWeight: 388.4375

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)COC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CSC1=CC=C(C=C1)COC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C19H20N2O5S/c1-27-16-5-2-14(3-6-16)13-26-19(22)15-4-7-17(18(12-15)21(23)24)20-8-10-25-11-9-20/h2-7,12H,8-11,13H2,1H3