2-[(4-azanyl-1,2,5-oxadiazol-3-yl)carbonylamino]ethyl-[(4-nitrophenyl)methyl]azanium

Systemtic Name: 2-[(4-azanyl-1,2,5-oxadiazol-3-yl)carbonylamino]ethyl-[(4-nitrophenyl)methyl]azanium Openeye Name: 2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]ethyl-[(4-nitrophenyl)methyl]ammonium CAS Name: 2-[[(4-amino-1,2,5-oxadiazol-3-yl)-oxomethyl]amino]ethyl-[(4-nitrophenyl)methyl]ammonium IUPAC Name: 2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]ethyl-[(4-nitrophenyl)methyl]azanium Traditional Name: 2-[(4-aminofurazan-3-carbonyl)amino]ethyl-(4-nitrobenzyl)ammonium Formula: C12H15N6O4+ MolecularWeight: 307.2853

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C[NH2+]CCNC(=O)C2=NON=C2N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C[NH2+]CCNC(=O)C2=NON=C2N)[N+](=O)[O-]

InChI

InChI=1S/C12H14N6O4/c13-11-10(16-22-17-11)12(19)15-6-5-14-7-8-1-3-9(4-2-8)18(20)21/h1-4,14H,5-7H2,(H2,13,17)(H,15,19)/p+1