methyl 5-[ethyl(2-methylsulfonyloxyethyl)amino]-2,4-dinitro-benzoate

Systemtic Name: methyl 5-[ethyl(2-methylsulfonyloxyethyl)amino]-2,4-dinitro-benzoate Openeye Name: methyl 5-[ethyl(2-methylsulfonyloxyethyl)amino]-2,4-dinitro-benzoate CAS Name: 5-[ethyl(2-methylsulfonyloxyethyl)amino]-2,4-dinitrobenzoic acid methyl ester IUPAC Name: methyl 5-[ethyl(2-methylsulfonyloxyethyl)amino]-2,4-dinitrobenzoate Traditional Name: 5-[ethyl(2-methylsulfonyloxyethyl)amino]-2,4-dinitro-benzoic acid methyl ester Formula: C13H17N3O9S MolecularWeight: 391.35378

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N3O9S/c1-4-14(5-6-25-26(3,22)23)11-7-9(13(17)24-2)10(15(18)19)8-12(11)16(20)21/h7-8H,4-6H2,1-3H3