4-(4-bromophenyl)sulfanyl-N-(2,2-dimethoxyethyl)-3-nitro-benzamide

Systemtic Name: 4-(4-bromophenyl)sulfanyl-N-(2,2-dimethoxyethyl)-3-nitro-benzamide Openeye Name: 4-(4-bromophenyl)sulfanyl-N-(2,2-dimethoxyethyl)-3-nitro-benzamide CAS Name: 4-[(4-bromophenyl)thio]-N-(2,2-dimethoxyethyl)-3-nitrobenzamide IUPAC Name: 4-(4-bromophenyl)sulfanyl-N-(2,2-dimethoxyethyl)-3-nitrobenzamide Traditional Name: 4-[(4-bromophenyl)thio]-N-(2,2-dimethoxyethyl)-3-nitro-benzamide Formula: C17H17BrN2O5S MolecularWeight: 441.29628

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Descriptors Computed from Structure

Canonical SMILES:

COC(CNC(=O)C1=CC(=C(C=C1)SC2=CC=C(C=C2)Br)[N+](=O)[O-])OC

Isomeric SMILES

COC(CNC(=O)C1=CC(=C(C=C1)SC2=CC=C(C=C2)Br)[N+](=O)[O-])OC

InChI

InChI=1S/C17H17BrN2O5S/c1-24-16(25-2)10-19-17(21)11-3-8-15(14(9-11)20(22)23)26-13-6-4-12(18)5-7-13/h3-9,16H,10H2,1-2H3,(H,19,21)