methyl 2-[2-(methoxycarbonylamino)-5-nitro-phenyl]sulfanylethanoate

Systemtic Name: methyl 2-[2-(methoxycarbonylamino)-5-nitro-phenyl]sulfanylethanoate Openeye Name: methyl 2-[2-(methoxycarbonylamino)-5-nitro-phenyl]sulfanylacetate CAS Name: 2-[[2-(methoxycarbonylamino)-5-nitrophenyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[2-(methoxycarbonylamino)-5-nitrophenyl]sulfanylacetate Traditional Name: 2-[[2-(carbomethoxyamino)-5-nitro-phenyl]thio]acetic acid methyl ester Formula: C11H12N2O6S MolecularWeight: 300.28778

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)OC

Isomeric SMILES

COC(=O)CSC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)OC

InChI

InChI=1S/C11H12N2O6S/c1-18-10(14)6-20-9-5-7(13(16)17)3-4-8(9)12-11(15)19-2/h3-5H,6H2,1-2H3,(H,12,15)