(4-methylsulfanylphenyl)methyl 4-(dimethylamino)-3-nitro-benzoate

Systemtic Name: (4-methylsulfanylphenyl)methyl 4-(dimethylamino)-3-nitro-benzoate Openeye Name: (4-methylsulfanylphenyl)methyl 4-(dimethylamino)-3-nitro-benzoate CAS Name: 4-(dimethylamino)-3-nitrobenzoic acid [4-(methylthio)phenyl]methyl ester IUPAC Name: (4-methylsulfanylphenyl)methyl 4-(dimethylamino)-3-nitrobenzoate Traditional Name: 4-(dimethylamino)-3-nitro-benzoic acid [4-(methylthio)benzyl] ester Formula: C17H18N2O4S MolecularWeight: 346.40082

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C(C=C1)C(=O)OCC2=CC=C(C=C2)SC)[N+](=O)[O-]

Isomeric SMILES

CN(C)C1=C(C=C(C=C1)C(=O)OCC2=CC=C(C=C2)SC)[N+](=O)[O-]

InChI

InChI=1S/C17H18N2O4S/c1-18(2)15-9-6-13(10-16(15)19(21)22)17(20)23-11-12-4-7-14(24-3)8-5-12/h4-10H,11H2,1-3H3