2-[(4-bromophenyl)carbonylamino]ethyl 4-methyl-5-oxidanidyl-1,2,5-oxadiazol-5-ium-3-carboxylate

Systemtic Name: 2-[(4-bromophenyl)carbonylamino]ethyl 4-methyl-5-oxidanidyl-1,2,5-oxadiazol-5-ium-3-carboxylate Openeye Name: 2-[(4-bromobenzoyl)amino]ethyl 4-methyl-5-oxido-1,2,5-oxadiazol-5-ium-3-carboxylate CAS Name: 4-methyl-5-oxido-1,2,5-oxadiazol-5-ium-3-carboxylic acid 2-[[(4-bromophenyl)-oxomethyl]amino]ethyl ester IUPAC Name: 2-[(4-bromobenzoyl)amino]ethyl 4-methyl-5-oxido-1,2,5-oxadiazol-5-ium-3-carboxylate Traditional Name: 4-methyl-5-oxido-furazan-5-ium-3-carboxylic acid 2-[(4-bromobenzoyl)amino]ethyl ester Formula: C13H12BrN3O5 MolecularWeight: 370.15548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](ON=C1C(=O)OCCNC(=O)C2=CC=C(C=C2)Br)[O-]

Isomeric SMILES

CC1=[N+](ON=C1C(=O)OCCNC(=O)C2=CC=C(C=C2)Br)[O-]

InChI

InChI=1S/C13H12BrN3O5/c1-8-11(16-22-17(8)20)13(19)21-7-6-15-12(18)9-2-4-10(14)5-3-9/h2-5H,6-7H2,1H3,(H,15,18)