(2-iodanyl-6-methoxy-4-morpholin-4-ylcarbothioyl-phenyl) 2-chloranyl-4-nitro-benzoate

Systemtic Name: (2-iodanyl-6-methoxy-4-morpholin-4-ylcarbothioyl-phenyl) 2-chloranyl-4-nitro-benzoate Openeye Name: [2-iodo-6-methoxy-4-(morpholine-4-carbothioyl)phenyl] 2-chloro-4-nitro-benzoate CAS Name: 2-chloro-4-nitrobenzoic acid [2-iodo-6-methoxy-4-[4-morpholinyl(sulfanylidene)methyl]phenyl] ester IUPAC Name: [2-iodo-6-methoxy-4-(morpholine-4-carbothioyl)phenyl] 2-chloro-4-nitrobenzoate Traditional Name: 2-chloro-4-nitro-benzoic acid [2-iodo-6-methoxy-4-(morpholine-4-carbothioyl)phenyl] ester Formula: C19H16ClIN2O6S MolecularWeight: 562.76261

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C(=S)N2CCOCC2)I)OC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

COC1=C(C(=CC(=C1)C(=S)N2CCOCC2)I)OC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C19H16ClIN2O6S/c1-27-16-9-11(18(30)22-4-6-28-7-5-22)8-15(21)17(16)29-19(24)13-3-2-12(23(25)26)10-14(13)20/h2-3,8-10H,4-7H2,1H3