2,3-bis(oxidanylidene)-1-(phenylmethyl)-4H-quinoxalin-1-ium-1-carboxylic acid

Systemtic Name: 2,3-bis(oxidanylidene)-1-(phenylmethyl)-4H-quinoxalin-1-ium-1-carboxylic acid Openeye Name: 1-benzyl-2,3-dioxo-4H-quinoxalin-1-ium-1-carboxylic acid CAS Name: 2,3-dioxo-1-(phenylmethyl)-4H-quinoxalin-1-ium-1-carboxylic acid IUPAC Name: 1-benzyl-2,3-dioxo-4H-quinoxalin-1-ium-1-carboxylic acid Traditional Name: 1-benzyl-2,3-diketo-4H-quinoxalin-1-ium-1-carboxylic acid Formula: C16H13N2O4+ MolecularWeight: 297.28542

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[N+]2(C3=CC=CC=C3NC(=O)C2=O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C[N+]2(C3=CC=CC=C3NC(=O)C2=O)C(=O)O

InChI

InChI=1S/C16H12N2O4/c19-14-15(20)18(16(21)22,10-11-6-2-1-3-7-11)13-9-5-4-8-12(13)17-14/h1-9H,10H2,(H-,17,19,21,22)/p+1