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

Systemtic Name: 4-methyl-N-[2-[(3-nitrophenyl)carbonylamino]ethyl]-5-oxidanidyl-1,2,5-oxadiazol-5-ium-3-carboxamide Openeye Name: 4-methyl-N-[2-[(3-nitrobenzoyl)amino]ethyl]-5-oxido-1,2,5-oxadiazol-5-ium-3-carboxamide CAS Name: 4-methyl-N-[2-[[(3-nitrophenyl)-oxomethyl]amino]ethyl]-5-oxido-1,2,5-oxadiazol-5-ium-3-carboxamide IUPAC Name: 4-methyl-N-[2-[(3-nitrobenzoyl)amino]ethyl]-5-oxido-1,2,5-oxadiazol-5-ium-3-carboxamide Traditional Name: 4-methyl-N-[2-[(3-nitrobenzoyl)amino]ethyl]-5-oxido-furazan-5-ium-3-carboxamide Formula: C13H13N5O6 MolecularWeight: 335.27222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13N5O6/c1-8-11(16-24-18(8)23)13(20)15-6-5-14-12(19)9-3-2-4-10(7-9)17(21)22/h2-4,7H,5-6H2,1H3,(H,14,19)(H,15,20)