3-(3-methylbut-2-enoyl)-4-oxidanylidene-3H-quinoxalin-4-ium-2-carboxylic acid

Systemtic Name: 3-(3-methylbut-2-enoyl)-4-oxidanylidene-3H-quinoxalin-4-ium-2-carboxylic acid Openeye Name: 3-(3-methylbut-2-enoyl)-4-oxo-3H-quinoxalin-4-ium-2-carboxylic acid CAS Name: 3-(3-methyl-1-oxobut-2-enyl)-4-oxo-3H-quinoxalin-4-ium-2-carboxylic acid IUPAC Name: 3-(3-methylbut-2-enoyl)-4-oxo-3H-quinoxalin-4-ium-2-carboxylic acid Traditional Name: 4-keto-3-(3-methylbut-2-enoyl)-3H-quinoxalin-4-ium-2-carboxylic acid Formula: C14H13N2O4+ MolecularWeight: 273.26402

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)C1C(=NC2=CC=CC=C2[N+]1=O)C(=O)O)C

Isomeric SMILES

CC(=CC(=O)C1C(=NC2=CC=CC=C2[N+]1=O)C(=O)O)C

InChI

InChI=1S/C14H12N2O4/c1-8(2)7-11(17)13-12(14(18)19)15-9-5-3-4-6-10(9)16(13)20/h3-7,13H,1-2H3/p+1