4-methoxy-2-[(2-nitrophenyl)sulfanylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-methoxy-2-[(2-nitrophenyl)sulfanylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-methoxy-2-[(2-nitrophenyl)sulfanylamino]-4-oxo-butanoic acid CAS Name: 4-methoxy-2-[[(2-nitrophenyl)thio]amino]-4-oxobutanoic acid IUPAC Name: 4-methoxy-2-[(2-nitrophenyl)sulfanylamino]-4-oxobutanoic acid Traditional Name: 4-keto-4-methoxy-2-[[(2-nitrophenyl)thio]amino]butyric acid Formula: C11H12N2O6S MolecularWeight: 300.28778

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C(=O)O)NSC1=CC=CC=C1[N+](=O)[O-]

Isomeric SMILES

COC(=O)CC(C(=O)O)NSC1=CC=CC=C1[N+](=O)[O-]

InChI

InChI=1S/C11H12N2O6S/c1-19-10(14)6-7(11(15)16)12-20-9-5-3-2-4-8(9)13(17)18/h2-5,7,12H,6H2,1H3,(H,15,16)