tert-butyl 3-[2-chloroethyl(2-methylsulfonyloxyethyl)amino]-2,6-dinitro-benzoate

Systemtic Name: tert-butyl 3-[2-chloroethyl(2-methylsulfonyloxyethyl)amino]-2,6-dinitro-benzoate Openeye Name: tert-butyl 3-[2-chloroethyl(2-methylsulfonyloxyethyl)amino]-2,6-dinitro-benzoate CAS Name: 3-[2-chloroethyl(2-methylsulfonyloxyethyl)amino]-2,6-dinitrobenzoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[2-chloroethyl(2-methylsulfonyloxyethyl)amino]-2,6-dinitrobenzoate Traditional Name: 3-[2-chloroethyl(2-methylsulfonyloxyethyl)amino]-2,6-dinitro-benzoic acid tert-butyl ester Formula: C16H22ClN3O9S MolecularWeight: 467.87858

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=C(C=CC(=C1[N+](=O)[O-])N(CCOS(=O)(=O)C)CCCl)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)C1=C(C=CC(=C1[N+](=O)[O-])N(CCOS(=O)(=O)C)CCCl)[N+](=O)[O-]

InChI

InChI=1S/C16H22ClN3O9S/c1-16(2,3)29-15(21)13-11(19(22)23)5-6-12(14(13)20(24)25)18(8-7-17)9-10-28-30(4,26)27/h5-6H,7-10H2,1-4H3