4,5-dimethoxy-N-(4-methylsulfanylphenyl)-2-nitro-benzamide

Systemtic Name: 4,5-dimethoxy-N-(4-methylsulfanylphenyl)-2-nitro-benzamide Openeye Name: 4,5-dimethoxy-N-(4-methylsulfanylphenyl)-2-nitro-benzamide CAS Name: 4,5-dimethoxy-N-[4-(methylthio)phenyl]-2-nitrobenzamide IUPAC Name: 4,5-dimethoxy-N-(4-methylsulfanylphenyl)-2-nitrobenzamide Traditional Name: 4,5-dimethoxy-N-[4-(methylthio)phenyl]-2-nitro-benzamide Formula: C16H16N2O5S MolecularWeight: 348.37364

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)NC2=CC=C(C=C2)SC)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)NC2=CC=C(C=C2)SC)[N+](=O)[O-])OC

InChI

InChI=1S/C16H16N2O5S/c1-22-14-8-12(13(18(20)21)9-15(14)23-2)16(19)17-10-4-6-11(24-3)7-5-10/h4-9H,1-3H3,(H,17,19)