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

Systemtic Name: N-[2-[(3-bromophenyl)carbonylamino]ethyl]-4-methyl-5-oxidanidyl-1,2,5-oxadiazol-5-ium-3-carboxamide Openeye Name: N-[2-[(3-bromobenzoyl)amino]ethyl]-4-methyl-5-oxido-1,2,5-oxadiazol-5-ium-3-carboxamide CAS Name: N-[2-[[(3-bromophenyl)-oxomethyl]amino]ethyl]-4-methyl-5-oxido-1,2,5-oxadiazol-5-ium-3-carboxamide IUPAC Name: N-[2-[(3-bromobenzoyl)amino]ethyl]-4-methyl-5-oxido-1,2,5-oxadiazol-5-ium-3-carboxamide Traditional Name: N-[2-[(3-bromobenzoyl)amino]ethyl]-4-methyl-5-oxido-furazan-5-ium-3-carboxamide Formula: C13H13BrN4O4 MolecularWeight: 369.17072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13BrN4O4/c1-8-11(17-22-18(8)21)13(20)16-6-5-15-12(19)9-3-2-4-10(14)7-9/h2-4,7H,5-6H2,1H3,(H,15,19)(H,16,20)