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

Systemtic Name: 2-[(3,4-dinitrophenyl)carbonylamino]ethyl 4-methyl-5-oxidanidyl-1,2,5-oxadiazol-5-ium-3-carboxylate Openeye Name: 2-[(3,4-dinitrobenzoyl)amino]ethyl 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 2-[[(3,4-dinitrophenyl)-oxomethyl]amino]ethyl ester IUPAC Name: 2-[(3,4-dinitrobenzoyl)amino]ethyl 4-methyl-5-oxido-1,2,5-oxadiazol-5-ium-3-carboxylate Traditional Name: 4-methyl-5-oxido-furazan-5-ium-3-carboxylic acid 2-[(3,4-dinitrobenzoyl)amino]ethyl ester Formula: C13H11N5O9 MolecularWeight: 381.25454

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11N5O9/c1-7-11(15-27-18(7)25)13(20)26-5-4-14-12(19)8-2-3-9(16(21)22)10(6-8)17(23)24/h2-3,6H,4-5H2,1H3,(H,14,19)