methyl 4,5-dimethoxy-2-[(3-nitro-4-oxidanyl-phenyl)sulfonylamino]benzoate

Systemtic Name: methyl 4,5-dimethoxy-2-[(3-nitro-4-oxidanyl-phenyl)sulfonylamino]benzoate Openeye Name: methyl 2-[(4-hydroxy-3-nitro-phenyl)sulfonylamino]-4,5-dimethoxy-benzoate CAS Name: 2-[(4-hydroxy-3-nitrophenyl)sulfonylamino]-4,5-dimethoxybenzoic acid methyl ester IUPAC Name: methyl 2-[(4-hydroxy-3-nitrophenyl)sulfonylamino]-4,5-dimethoxybenzoate Traditional Name: 2-[(4-hydroxy-3-nitro-phenyl)sulfonylamino]-4,5-dimethoxy-benzoic acid methyl ester Formula: C16H16N2O9S MolecularWeight: 412.37124

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OC)NS(=O)(=O)C2=CC(=C(C=C2)O)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OC)NS(=O)(=O)C2=CC(=C(C=C2)O)[N+](=O)[O-])OC

InChI

InChI=1S/C16H16N2O9S/c1-25-14-7-10(16(20)27-3)11(8-15(14)26-2)17-28(23,24)9-4-5-13(19)12(6-9)18(21)22/h4-8,17,19H,1-3H3