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

Systemtic Name: (2-methoxy-4-morpholin-4-ylcarbothioyl-phenyl) 4-chloranyl-2-nitro-benzoate Openeye Name: [2-methoxy-4-(morpholine-4-carbothioyl)phenyl] 4-chloro-2-nitro-benzoate CAS Name: 4-chloro-2-nitrobenzoic acid [2-methoxy-4-[4-morpholinyl(sulfanylidene)methyl]phenyl] ester IUPAC Name: [2-methoxy-4-(morpholine-4-carbothioyl)phenyl] 4-chloro-2-nitrobenzoate Traditional Name: 4-chloro-2-nitro-benzoic acid [2-methoxy-4-(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=CC(=C1)C(=S)N2CCOCC2)OC(=O)C3=C(C=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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