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

Systemtic Name: N-(3-methoxyphenyl)-4-methylsulfanyl-3-nitro-benzamide Openeye Name: N-(3-methoxyphenyl)-4-methylsulfanyl-3-nitro-benzamide CAS Name: N-(3-methoxyphenyl)-4-(methylthio)-3-nitrobenzamide IUPAC Name: N-(3-methoxyphenyl)-4-methylsulfanyl-3-nitrobenzamide Traditional Name: N-(3-methoxyphenyl)-4-(methylthio)-3-nitro-benzamide Formula: C15H14N2O4S MolecularWeight: 318.34766

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14N2O4S/c1-21-12-5-3-4-11(9-12)16-15(18)10-6-7-14(22-2)13(8-10)17(19)20/h3-9H,1-2H3,(H,16,18)