(5-chloranyl-1-methyl-imidazol-2-yl)methyl 2-(4-methylsulfanyl-3-nitro-phenyl)carbonylbenzoate

Systemtic Name: (5-chloranyl-1-methyl-imidazol-2-yl)methyl 2-(4-methylsulfanyl-3-nitro-phenyl)carbonylbenzoate Openeye Name: (5-chloro-1-methyl-imidazol-2-yl)methyl 2-(4-methylsulfanyl-3-nitro-benzoyl)benzoate CAS Name: 2-[[4-(methylthio)-3-nitrophenyl]-oxomethyl]benzoic acid (5-chloro-1-methyl-2-imidazolyl)methyl ester IUPAC Name: (5-chloro-1-methylimidazol-2-yl)methyl 2-(4-methylsulfanyl-3-nitrobenzoyl)benzoate Traditional Name: 2-[4-(methylthio)-3-nitro-benzoyl]benzoic acid (5-chloro-1-methyl-imidazol-2-yl)methyl ester Formula: C20H16ClN3O5S MolecularWeight: 445.87614

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CN=C1COC(=O)C2=CC=CC=C2C(=O)C3=CC(=C(C=C3)SC)[N+](=O)[O-])Cl

Isomeric SMILES

CN1C(=CN=C1COC(=O)C2=CC=CC=C2C(=O)C3=CC(=C(C=C3)SC)[N+](=O)[O-])Cl

InChI

InChI=1S/C20H16ClN3O5S/c1-23-17(21)10-22-18(23)11-29-20(26)14-6-4-3-5-13(14)19(25)12-7-8-16(30-2)15(9-12)24(27)28/h3-10H,11H2,1-2H3