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

Systemtic Name: 3-[(3,4-dinitrophenyl)carbonylamino]propyl 4-methyl-5-oxidanidyl-1,2,5-oxadiazol-5-ium-3-carboxylate Openeye Name: 3-[(3,4-dinitrobenzoyl)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-[[(3,4-dinitrophenyl)-oxomethyl]amino]propyl ester IUPAC Name: 3-[(3,4-dinitrobenzoyl)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-[(3,4-dinitrobenzoyl)amino]propyl ester Formula: C14H13N5O9 MolecularWeight: 395.28112

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13N5O9/c1-8-12(16-28-19(8)26)14(21)27-6-2-5-15-13(20)9-3-4-10(17(22)23)11(7-9)18(24)25/h3-4,7H,2,5-6H2,1H3,(H,15,20)