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

Systemtic Name: tert-butyl (NE)-N-[2,3-bis(bromomethyl)-1-oxidanidyl-4-oxidanyl-quinoxalin-1-ium-6-ylidene]carbamate Openeye Name: tert-butyl (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 tert-butyl ester IUPAC Name: tert-butyl (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 tert-butyl ester Formula: C15H17Br2N3O4 MolecularWeight: 463.12118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17Br2N3O4/c1-15(2,3)24-14(21)18-9-4-5-10-11(6-9)20(23)13(8-17)12(7-16)19(10)22/h4-6,23H,7-8H2,1-3H3/b18-9+