[2-(2,6-dimethylmorpholin-4-yl)-2-oxidanylidene-ethyl] 5-nitro-2-phenylsulfanyl-benzoate

Systemtic Name: [2-(2,6-dimethylmorpholin-4-yl)-2-oxidanylidene-ethyl] 5-nitro-2-phenylsulfanyl-benzoate Openeye Name: [2-(2,6-dimethylmorpholin-4-yl)-2-oxo-ethyl] 5-nitro-2-phenylsulfanyl-benzoate CAS Name: 5-nitro-2-(phenylthio)benzoic acid [2-(2,6-dimethyl-4-morpholinyl)-2-oxoethyl] ester IUPAC Name: [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 5-nitro-2-phenylsulfanylbenzoate Traditional Name: 5-nitro-2-(phenylthio)benzoic acid [2-(2,6-dimethylmorpholino)-2-keto-ethyl] ester Formula: C21H22N2O6S MolecularWeight: 430.47418

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(O1)C)C(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])SC3=CC=CC=C3

Isomeric SMILES

CC1CN(CC(O1)C)C(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])SC3=CC=CC=C3

InChI

InChI=1S/C21H22N2O6S/c1-14-11-22(12-15(2)29-14)20(24)13-28-21(25)18-10-16(23(26)27)8-9-19(18)30-17-6-4-3-5-7-17/h3-10,14-15H,11-13H2,1-2H3