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

Systemtic Name: methyl 2-[2-(methoxycarbonylamino)-3,5-dinitro-phenyl]sulfanylethanoate Openeye Name: methyl 2-[2-(methoxycarbonylamino)-3,5-dinitro-phenyl]sulfanylacetate CAS Name: 2-[[2-(methoxycarbonylamino)-3,5-dinitrophenyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[2-(methoxycarbonylamino)-3,5-dinitrophenyl]sulfanylacetate Traditional Name: 2-[[2-(carbomethoxyamino)-3,5-dinitro-phenyl]thio]acetic acid methyl ester Formula: C11H11N3O8S MolecularWeight: 345.28534

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=CC(=CC(=C1NC(=O)OC)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC(=O)CSC1=CC(=CC(=C1NC(=O)OC)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C11H11N3O8S/c1-21-9(15)5-23-8-4-6(13(17)18)3-7(14(19)20)10(8)12-11(16)22-2/h3-4H,5H2,1-2H3,(H,12,16)