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

Systemtic Name: 2-[(3-nitrophenyl)carbonylamino]ethyl 4-methyl-5-oxidanidyl-1,2,5-oxadiazol-5-ium-3-carboxylate Openeye Name: 2-[(3-nitrobenzoyl)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-nitrophenyl)-oxomethyl]amino]ethyl ester IUPAC Name: 2-[(3-nitrobenzoyl)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-nitrobenzoyl)amino]ethyl ester Formula: C13H12N4O7 MolecularWeight: 336.25698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12N4O7/c1-8-11(15-24-17(8)22)13(19)23-6-5-14-12(18)9-3-2-4-10(7-9)16(20)21/h2-4,7H,5-6H2,1H3,(H,14,18)