ethyl (NE)-N-[2,3-bis(bromomethyl)-1-oxidanidyl-4-oxidanyl-quinoxalin-1-ium-6-ylidene]carbamate

Systemtic Name: ethyl (NE)-N-[2,3-bis(bromomethyl)-1-oxidanidyl-4-oxidanyl-quinoxalin-1-ium-6-ylidene]carbamate Openeye Name: ethyl (NE)-N-[2,3-bis(bromomethyl)-4-hydroxy-1-oxido-quinoxalin-1-ium-6-ylidene]carbamate CAS Name: (NE)-N-[2,3-bis(bromomethyl)-4-hydroxy-1-oxido-6-quinoxalin-1-iumylidene]carbamic acid ethyl ester IUPAC Name: ethyl (NE)-N-[2,3-bis(bromomethyl)-4-hydroxy-1-oxidoquinoxalin-1-ium-6-ylidene]carbamate Traditional Name: (NE)-N-[2,3-bis(bromomethyl)-4-hydroxy-1-oxido-quinoxalin-1-ium-6-ylidene]carbamic acid ethyl ester Formula: C13H13Br2N3O4 MolecularWeight: 435.06802

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N=C1C=CC2=[N+](C(=C(N(C2=C1)O)CBr)CBr)[O-]

Isomeric SMILES

CCOC(=O)/N=C/1\C=CC2=[N+](C(=C(N(C2=C1)O)CBr)CBr)[O-]

InChI

InChI=1S/C13H13Br2N3O4/c1-2-22-13(19)16-8-3-4-9-10(5-8)18(21)12(7-15)11(6-14)17(9)20/h3-5,21H,2,6-7H2,1H3/b16-8+