(E)-3-(1-oxidanidyl-2,1,3-benzoxadiazol-1-ium-5-yl)prop-2-enoic acid

Systemtic Name: (E)-3-(1-oxidanidyl-2,1,3-benzoxadiazol-1-ium-5-yl)prop-2-enoic acid Openeye Name: (E)-3-(1-oxido-2,1,3-benzoxadiazol-1-ium-5-yl)prop-2-enoic acid CAS Name: (E)-3-(1-oxido-2,1,3-benzoxadiazol-1-ium-5-yl)-2-propenoic acid IUPAC Name: (E)-3-(1-oxido-2,1,3-benzoxadiazol-1-ium-5-yl)prop-2-enoic acid Traditional Name: (E)-3-(1-oxidobenzofurazan-1-ium-5-yl)acrylic acid Formula: C9H6N2O4 MolecularWeight: 206.15494

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=[N+](ON=C2C=C1C=CC(=O)O)[O-]

Isomeric SMILES

C1=CC2=[N+](ON=C2C=C1/C=C/C(=O)O)[O-]

InChI

InChI=1S/C9H6N2O4/c12-9(13)4-2-6-1-3-8-7(5-6)10-15-11(8)14/h1-5H,(H,12,13)/b4-2+