2-(3-methoxy-5-nitro-4-oxidanyl-phenyl)-1,3-thiazolidin-3-ium-4-carboxylate

Systemtic Name: 2-(3-methoxy-5-nitro-4-oxidanyl-phenyl)-1,3-thiazolidin-3-ium-4-carboxylate Openeye Name: 2-(4-hydroxy-3-methoxy-5-nitro-phenyl)thiazolidin-3-ium-4-carboxylate CAS Name: 2-(4-hydroxy-3-methoxy-5-nitrophenyl)-4-thiazolidin-3-iumcarboxylate IUPAC Name: 2-(4-hydroxy-3-methoxy-5-nitrophenyl)-1,3-thiazolidin-3-ium-4-carboxylate Traditional Name: 2-(4-hydroxy-3-methoxy-5-nitro-phenyl)thiazolidin-3-ium-4-carboxylate Formula: C11H12N2O6S MolecularWeight: 300.28778

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)[N+](=O)[O-])C2[NH2+]C(CS2)C(=O)[O-]

Isomeric SMILES

COC1=CC(=CC(=C1O)[N+](=O)[O-])C2[NH2+]C(CS2)C(=O)[O-]

InChI

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