N-(3-methoxypropyl)-4-methylsulfanyl-3-nitro-benzamide

Systemtic Name: N-(3-methoxypropyl)-4-methylsulfanyl-3-nitro-benzamide Openeye Name: N-(3-methoxypropyl)-4-methylsulfanyl-3-nitro-benzamide CAS Name: N-(3-methoxypropyl)-4-(methylthio)-3-nitrobenzamide IUPAC Name: N-(3-methoxypropyl)-4-methylsulfanyl-3-nitrobenzamide Traditional Name: N-(3-methoxypropyl)-4-(methylthio)-3-nitro-benzamide Formula: C12H16N2O4S MolecularWeight: 284.33144

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Descriptors Computed from Structure

Canonical SMILES:

COCCCNC(=O)C1=CC(=C(C=C1)SC)[N+](=O)[O-]

Isomeric SMILES

COCCCNC(=O)C1=CC(=C(C=C1)SC)[N+](=O)[O-]

InChI

InChI=1S/C12H16N2O4S/c1-18-7-3-6-13-12(15)9-4-5-11(19-2)10(8-9)14(16)17/h4-5,8H,3,6-7H2,1-2H3,(H,13,15)