[3-(bromomethyl)-4-oxidanidyl-1-oxidanylidene-quinoxalin-1-ium-2-yl]-(3-nitrophenyl)methanone

Systemtic Name: [3-(bromomethyl)-4-oxidanidyl-1-oxidanylidene-quinoxalin-1-ium-2-yl]-(3-nitrophenyl)methanone Openeye Name: [3-(bromomethyl)-4-oxido-1-oxo-quinoxalin-1-ium-2-yl]-(3-nitrophenyl)methanone CAS Name: [3-(bromomethyl)-4-oxido-1-oxo-2-quinoxalin-1-iumyl]-(3-nitrophenyl)methanone IUPAC Name: [3-(bromomethyl)-4-oxido-1-oxoquinoxalin-1-ium-2-yl]-(3-nitrophenyl)methanone Traditional Name: [3-(bromomethyl)-1-keto-4-oxido-quinoxalin-1-ium-2-yl]-(3-nitrophenyl)methanone Formula: C16H10BrN3O5 MolecularWeight: 404.1717

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H10BrN3O5/c17-9-14-15(16(21)10-4-3-5-11(8-10)20(24)25)19(23)13-7-2-1-6-12(13)18(14)22/h1-8H,9H2