(2-methoxy-5-morpholin-4-ylcarbothioyl-phenyl) 2-chloranyl-4-nitro-benzoate

Systemtic Name: (2-methoxy-5-morpholin-4-ylcarbothioyl-phenyl) 2-chloranyl-4-nitro-benzoate Openeye Name: [2-methoxy-5-(morpholine-4-carbothioyl)phenyl] 2-chloro-4-nitro-benzoate CAS Name: 2-chloro-4-nitrobenzoic acid [2-methoxy-5-[4-morpholinyl(sulfanylidene)methyl]phenyl] ester IUPAC Name: [2-methoxy-5-(morpholine-4-carbothioyl)phenyl] 2-chloro-4-nitrobenzoate Traditional Name: 2-chloro-4-nitro-benzoic acid [2-methoxy-5-(morpholine-4-carbothioyl)phenyl] ester Formula: C19H17ClN2O6S MolecularWeight: 436.86608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17ClN2O6S/c1-26-16-5-2-12(18(29)21-6-8-27-9-7-21)10-17(16)28-19(23)14-4-3-13(22(24)25)11-15(14)20/h2-5,10-11H,6-9H2,1H3