4-[3-(bromomethyl)-4-oxidanyl-1-oxidanylidene-quinoxalin-1-ium-2-yl]carbonylphenolate

Systemtic Name: 4-[3-(bromomethyl)-4-oxidanyl-1-oxidanylidene-quinoxalin-1-ium-2-yl]carbonylphenolate Openeye Name: 4-[3-(bromomethyl)-4-hydroxy-1-oxo-quinoxalin-1-ium-2-carbonyl]phenolate CAS Name: 4-[[3-(bromomethyl)-4-hydroxy-1-oxo-2-quinoxalin-1-iumyl]-oxomethyl]phenolate IUPAC Name: 4-[3-(bromomethyl)-4-hydroxy-1-oxoquinoxalin-1-ium-2-carbonyl]phenolate Traditional Name: 4-[3-(bromomethyl)-4-hydroxy-1-keto-quinoxalin-1-ium-2-carbonyl]phenolate Formula: C16H11BrN2O4 MolecularWeight: 375.17354

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C(=C([N+]2=O)C(=O)C3=CC=C(C=C3)[O-])CBr)O

Isomeric SMILES

C1=CC=C2C(=C1)N(C(=C([N+]2=O)C(=O)C3=CC=C(C=C3)[O-])CBr)O

InChI

InChI=1S/C16H11BrN2O4/c17-9-14-15(16(21)10-5-7-11(20)8-6-10)19(23)13-4-2-1-3-12(13)18(14)22/h1-8,22H,9H2