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

Systemtic Name: 3-[(3-nitrophenyl)carbonylamino]propyl 4-methyl-5-oxidanidyl-1,2,5-oxadiazol-5-ium-3-carboxylate Openeye Name: 3-[(3-nitrobenzoyl)amino]propyl 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 3-[[(3-nitrophenyl)-oxomethyl]amino]propyl ester IUPAC Name: 3-[(3-nitrobenzoyl)amino]propyl 4-methyl-5-oxido-1,2,5-oxadiazol-5-ium-3-carboxylate Traditional Name: 4-methyl-5-oxido-furazan-5-ium-3-carboxylic acid 3-[(3-nitrobenzoyl)amino]propyl ester Formula: C14H14N4O7 MolecularWeight: 350.28356

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14N4O7/c1-9-12(16-25-18(9)23)14(20)24-7-3-6-15-13(19)10-4-2-5-11(8-10)17(21)22/h2,4-5,8H,3,6-7H2,1H3,(H,15,19)