(2-methoxy-5-morpholin-4-ylcarbothioyl-phenyl) 4-chloranyl-3-nitro-benzoate

Systemtic Name: (2-methoxy-5-morpholin-4-ylcarbothioyl-phenyl) 4-chloranyl-3-nitro-benzoate Openeye Name: [2-methoxy-5-(morpholine-4-carbothioyl)phenyl] 4-chloro-3-nitro-benzoate CAS Name: 4-chloro-3-nitrobenzoic acid [2-methoxy-5-[4-morpholinyl(sulfanylidene)methyl]phenyl] ester IUPAC Name: [2-methoxy-5-(morpholine-4-carbothioyl)phenyl] 4-chloro-3-nitrobenzoate Traditional Name: 4-chloro-3-nitro-benzoic acid [2-methoxy-5-(morpholine-4-carbothioyl)phenyl] ester Formula: C19H17ClN2O6S MolecularWeight: 436.86608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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