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

Systemtic Name: 4-methyl-N-[3-[(3-nitrophenyl)carbonylamino]propyl]-5-oxidanidyl-1,2,5-oxadiazol-5-ium-3-carboxamide Openeye Name: 4-methyl-N-[3-[(3-nitrobenzoyl)amino]propyl]-5-oxido-1,2,5-oxadiazol-5-ium-3-carboxamide CAS Name: 4-methyl-N-[3-[[(3-nitrophenyl)-oxomethyl]amino]propyl]-5-oxido-1,2,5-oxadiazol-5-ium-3-carboxamide IUPAC Name: 4-methyl-N-[3-[(3-nitrobenzoyl)amino]propyl]-5-oxido-1,2,5-oxadiazol-5-ium-3-carboxamide Traditional Name: 4-methyl-N-[3-[(3-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(=CC=C2)[N+](=O)[O-])[O-]

Isomeric SMILES

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

InChI

InChI=1S/C14H15N5O6/c1-9-12(17-25-19(9)24)14(21)16-7-3-6-15-13(20)10-4-2-5-11(8-10)18(22)23/h2,4-5,8H,3,6-7H2,1H3,(H,15,20)(H,16,21)