2-[[4-[(E)-2-(5-nitrofuran-2-yl)ethenyl]phenyl]carbonylamino]ethanesulfonic acid

Systemtic Name: 2-[[4-[(E)-2-(5-nitrofuran-2-yl)ethenyl]phenyl]carbonylamino]ethanesulfonic acid Openeye Name: 2-[[4-[(E)-2-(5-nitro-2-furyl)vinyl]benzoyl]amino]ethanesulfonic acid CAS Name: 2-[[[4-[(E)-2-(5-nitro-2-furanyl)ethenyl]phenyl]-oxomethyl]amino]ethanesulfonic acid IUPAC Name: 2-[[4-[(E)-2-(5-nitrofuran-2-yl)ethenyl]benzoyl]amino]ethanesulfonic acid Traditional Name: 2-[[4-[(E)-2-(5-nitro-2-furyl)vinyl]benzoyl]amino]ethanesulfonic acid Formula: C15H14N2O7S MolecularWeight: 366.34586

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=CC2=CC=C(O2)[N+](=O)[O-])C(=O)NCCS(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1/C=C/C2=CC=C(O2)[N+](=O)[O-])C(=O)NCCS(=O)(=O)O

InChI

InChI=1S/C15H14N2O7S/c18-15(16-9-10-25(21,22)23)12-4-1-11(2-5-12)3-6-13-7-8-14(24-13)17(19)20/h1-8H,9-10H2,(H,16,18)(H,21,22,23)/b6-3+