(4-methoxyphenyl)methyl 2-(4-methylsulfanyl-3-nitro-phenyl)carbonylbenzoate

Systemtic Name: (4-methoxyphenyl)methyl 2-(4-methylsulfanyl-3-nitro-phenyl)carbonylbenzoate Openeye Name: (4-methoxyphenyl)methyl 2-(4-methylsulfanyl-3-nitro-benzoyl)benzoate CAS Name: 2-[[4-(methylthio)-3-nitrophenyl]-oxomethyl]benzoic acid (4-methoxyphenyl)methyl ester IUPAC Name: (4-methoxyphenyl)methyl 2-(4-methylsulfanyl-3-nitrobenzoyl)benzoate Traditional Name: 2-[4-(methylthio)-3-nitro-benzoyl]benzoic acid p-anisyl ester Formula: C23H19NO6S MolecularWeight: 437.46506

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)COC(=O)C2=CC=CC=C2C(=O)C3=CC(=C(C=C3)SC)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)COC(=O)C2=CC=CC=C2C(=O)C3=CC(=C(C=C3)SC)[N+](=O)[O-]

InChI

InChI=1S/C23H19NO6S/c1-29-17-10-7-15(8-11-17)14-30-23(26)19-6-4-3-5-18(19)22(25)16-9-12-21(31-2)20(13-16)24(27)28/h3-13H,14H2,1-2H3