(E)-3-(4-methyl-5-oxidanidyl-1,2,5-oxadiazol-5-ium-3-yl)prop-2-enoic acid

Systemtic Name: (E)-3-(4-methyl-5-oxidanidyl-1,2,5-oxadiazol-5-ium-3-yl)prop-2-enoic acid Openeye Name: (E)-3-(4-methyl-5-oxido-1,2,5-oxadiazol-5-ium-3-yl)prop-2-enoic acid CAS Name: (E)-3-(4-methyl-5-oxido-1,2,5-oxadiazol-5-ium-3-yl)-2-propenoic acid IUPAC Name: (E)-3-(4-methyl-5-oxido-1,2,5-oxadiazol-5-ium-3-yl)prop-2-enoic acid Traditional Name: (E)-3-(4-methyl-5-oxido-furazan-5-ium-3-yl)acrylic acid Formula: C6H6N2O4 MolecularWeight: 170.12284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](ON=C1C=CC(=O)O)[O-]

Isomeric SMILES

CC1=[N+](ON=C1/C=C/C(=O)O)[O-]

InChI

InChI=1S/C6H6N2O4/c1-4-5(2-3-6(9)10)7-12-8(4)11/h2-3H,1H3,(H,9,10)/b3-2+