methyl 3-[bis(2-methylsulfonyloxyethyl)amino]-2,6-dinitro-benzoate

Systemtic Name: methyl 3-[bis(2-methylsulfonyloxyethyl)amino]-2,6-dinitro-benzoate Openeye Name: methyl 3-[bis(2-methylsulfonyloxyethyl)amino]-2,6-dinitro-benzoate CAS Name: 3-[bis(2-methylsulfonyloxyethyl)amino]-2,6-dinitrobenzoic acid methyl ester IUPAC Name: methyl 3-[bis(2-methylsulfonyloxyethyl)amino]-2,6-dinitrobenzoate Traditional Name: 3-[bis(2-methylsulfonyloxyethyl)amino]-2,6-dinitro-benzoic acid methyl ester Formula: C14H19N3O12S2 MolecularWeight: 485.44356

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19N3O12S2/c1-27-14(18)12-10(16(19)20)4-5-11(13(12)17(21)22)15(6-8-28-30(2,23)24)7-9-29-31(3,25)26/h4-5H,6-9H2,1-3H3