2-[(3-nitro-4-oxidanyl-phenyl)sulfonylamino]ethanoic acid

Systemtic Name: 2-[(3-nitro-4-oxidanyl-phenyl)sulfonylamino]ethanoic acid Openeye Name: 2-[(4-hydroxy-3-nitro-phenyl)sulfonylamino]acetic acid CAS Name: 2-[(4-hydroxy-3-nitrophenyl)sulfonylamino]acetic acid IUPAC Name: 2-[(4-hydroxy-3-nitrophenyl)sulfonylamino]acetic acid Traditional Name: 2-[(4-hydroxy-3-nitro-phenyl)sulfonylamino]acetic acid Formula: C8H8N2O7S MolecularWeight: 276.22332

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1S(=O)(=O)NCC(=O)O)[N+](=O)[O-])O

Isomeric SMILES

C1=CC(=C(C=C1S(=O)(=O)NCC(=O)O)[N+](=O)[O-])O

InChI

InChI=1S/C8H8N2O7S/c11-7-2-1-5(3-6(7)10(14)15)18(16,17)9-4-8(12)13/h1-3,9,11H,4H2,(H,12,13)