methyl 2-[(3-nitro-4-oxidanyl-phenyl)sulfonylamino]-3-oxidanyl-propanoate

Systemtic Name: methyl 2-[(3-nitro-4-oxidanyl-phenyl)sulfonylamino]-3-oxidanyl-propanoate Openeye Name: methyl 3-hydroxy-2-[(4-hydroxy-3-nitro-phenyl)sulfonylamino]propanoate CAS Name: 3-hydroxy-2-[(4-hydroxy-3-nitrophenyl)sulfonylamino]propanoic acid methyl ester IUPAC Name: methyl 3-hydroxy-2-[(4-hydroxy-3-nitrophenyl)sulfonylamino]propanoate Traditional Name: 3-hydroxy-2-[(4-hydroxy-3-nitro-phenyl)sulfonylamino]propionic acid methyl ester Formula: C10H12N2O8S MolecularWeight: 320.27588

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H12N2O8S/c1-20-10(15)7(5-13)11-21(18,19)6-2-3-9(14)8(4-6)12(16)17/h2-4,7,11,13-14H,5H2,1H3