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

Systemtic Name: 4-methyl-N-[3-[(4-nitrophenyl)carbonylamino]propyl]-5-oxidanidyl-1,2,5-oxadiazol-5-ium-3-carboxamide Openeye Name: 4-methyl-N-[3-[(4-nitrobenzoyl)amino]propyl]-5-oxido-1,2,5-oxadiazol-5-ium-3-carboxamide CAS Name: 4-methyl-N-[3-[[(4-nitrophenyl)-oxomethyl]amino]propyl]-5-oxido-1,2,5-oxadiazol-5-ium-3-carboxamide IUPAC Name: 4-methyl-N-[3-[(4-nitrobenzoyl)amino]propyl]-5-oxido-1,2,5-oxadiazol-5-ium-3-carboxamide Traditional Name: 4-methyl-N-[3-[(4-nitrobenzoyl)amino]propyl]-5-oxido-furazan-5-ium-3-carboxamide Formula: C14H15N5O6 MolecularWeight: 349.2988

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15N5O6/c1-9-12(17-25-19(9)24)14(21)16-8-2-7-15-13(20)10-3-5-11(6-4-10)18(22)23/h3-6H,2,7-8H2,1H3,(H,15,20)(H,16,21)