N-[2-(2-hydroxyethylamino)-5-nitro-phenyl]-3-nitro-4-oxidanyl-benzenesulfonamide

Systemtic Name: N-[2-(2-hydroxyethylamino)-5-nitro-phenyl]-3-nitro-4-oxidanyl-benzenesulfonamide Openeye Name: 4-hydroxy-N-[2-(2-hydroxyethylamino)-5-nitro-phenyl]-3-nitro-benzenesulfonamide CAS Name: 4-hydroxy-N-[2-(2-hydroxyethylamino)-5-nitrophenyl]-3-nitrobenzenesulfonamide IUPAC Name: 4-hydroxy-N-[2-(2-hydroxyethylamino)-5-nitrophenyl]-3-nitrobenzenesulfonamide Traditional Name: 4-hydroxy-N-[2-(2-hydroxyethylamino)-5-nitro-phenyl]-3-nitro-benzenesulfonamide Formula: C14H14N4O8S MolecularWeight: 398.34796

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14N4O8S/c19-6-5-15-11-3-1-9(17(21)22)7-12(11)16-27(25,26)10-2-4-14(20)13(8-10)18(23)24/h1-4,7-8,15-16,19-20H,5-6H2