methyl 2-[2-(methoxycarbonylamino)-3,5-dinitro-phenyl]sulfonylethanoate

Systemtic Name: methyl 2-[2-(methoxycarbonylamino)-3,5-dinitro-phenyl]sulfonylethanoate Openeye Name: methyl 2-[2-(methoxycarbonylamino)-3,5-dinitro-phenyl]sulfonylacetate CAS Name: 2-[2-(methoxycarbonylamino)-3,5-dinitrophenyl]sulfonylacetic acid methyl ester IUPAC Name: methyl 2-[2-(methoxycarbonylamino)-3,5-dinitrophenyl]sulfonylacetate Traditional Name: 2-[2-(carbomethoxyamino)-3,5-dinitro-phenyl]sulfonylacetic acid methyl ester Formula: C11H11N3O10S MolecularWeight: 377.28414

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CS(=O)(=O)C1=CC(=CC(=C1NC(=O)OC)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC(=O)CS(=O)(=O)C1=CC(=CC(=C1NC(=O)OC)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C11H11N3O10S/c1-23-9(15)5-25(21,22)8-4-6(13(17)18)3-7(14(19)20)10(8)12-11(16)24-2/h3-4H,5H2,1-2H3,(H,12,16)