3-cyano-2-[3-methyl-1,4-bis(oxidanidyl)quinoxalin-1-ium-1-yl]propanoic acid

Systemtic Name: 3-cyano-2-[3-methyl-1,4-bis(oxidanidyl)quinoxalin-1-ium-1-yl]propanoic acid Openeye Name: 3-cyano-2-(3-methyl-1,4-dioxido-quinoxalin-1-ium-1-yl)propanoic acid CAS Name: 3-cyano-2-(3-methyl-1,4-dioxido-1-quinoxalin-1-iumyl)propanoic acid IUPAC Name: 3-cyano-2-(3-methyl-1,4-dioxidoquinoxalin-1-ium-1-yl)propanoic acid Traditional Name: 3-cyano-2-(3-methyl-1,4-dioxido-quinoxalin-1-ium-1-yl)propionic acid Formula: C13H12N3O4- MolecularWeight: 274.25208

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+](C2=CC=CC=C2N1[O-])(C(CC#N)C(=O)O)[O-]

Isomeric SMILES

CC1=C[N+](C2=CC=CC=C2N1[O-])(C(CC#N)C(=O)O)[O-]

InChI

InChI=1S/C13H12N3O4/c1-9-8-16(20,12(6-7-14)13(17)18)11-5-3-2-4-10(11)15(9)19/h2-5,8,12H,6H2,1H3,(H,17,18)/q-1