sodium 2-[[4-[(E)-2-(5-nitrofuran-2-yl)ethenyl]phenyl]carbonylamino]ethanesulfonate

Systemtic Name: sodium 2-[[4-[(E)-2-(5-nitrofuran-2-yl)ethenyl]phenyl]carbonylamino]ethanesulfonate Openeye Name: sodium 2-[[4-[(E)-2-(5-nitro-2-furyl)vinyl]benzoyl]amino]ethanesulfonate CAS Name: sodium 2-[[[4-[(E)-2-(5-nitro-2-furanyl)ethenyl]phenyl]-oxomethyl]amino]ethanesulfonate IUPAC Name: sodium 2-[[4-[(E)-2-(5-nitrofuran-2-yl)ethenyl]benzoyl]amino]ethanesulfonate Traditional Name: sodium 2-[[4-[(E)-2-(5-nitro-2-furyl)vinyl]benzoyl]amino]ethanesulfonate Formula: C15H13N2NaO7S MolecularWeight: 388.32769

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14N2O7S.Na/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);/q;+1/p-1/b6-3+;