N-[(2-methoxyphenyl)methyl]-4-methylsulfanyl-3-nitro-benzamide

Systemtic Name: N-[(2-methoxyphenyl)methyl]-4-methylsulfanyl-3-nitro-benzamide Openeye Name: N-[(2-methoxyphenyl)methyl]-4-methylsulfanyl-3-nitro-benzamide CAS Name: N-[(2-methoxyphenyl)methyl]-4-(methylthio)-3-nitrobenzamide IUPAC Name: N-[(2-methoxyphenyl)methyl]-4-methylsulfanyl-3-nitrobenzamide Traditional Name: 4-(methylthio)-3-nitro-N-o-anisyl-benzamide Formula: C16H16N2O4S MolecularWeight: 332.37424

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CNC(=O)C2=CC(=C(C=C2)SC)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC=C1CNC(=O)C2=CC(=C(C=C2)SC)[N+](=O)[O-]

InChI

InChI=1S/C16H16N2O4S/c1-22-14-6-4-3-5-12(14)10-17-16(19)11-7-8-15(23-2)13(9-11)18(20)21/h3-9H,10H2,1-2H3,(H,17,19)