(E)-[4-(2-acetamidoethanoyl)piperazin-1-yl]-(2,4-dinitrophenoxy)imino-oxidanidyl-azanium

Systemtic Name: (E)-[4-(2-acetamidoethanoyl)piperazin-1-yl]-(2,4-dinitrophenoxy)imino-oxidanidyl-azanium Openeye Name: (E)-[4-(2-acetamidoacetyl)piperazin-1-yl]-(2,4-dinitrophenoxy)imino-oxido-ammonium CAS Name: (E)-[4-(2-acetamido-1-oxoethyl)-1-piperazinyl]-(2,4-dinitrophenoxy)imino-oxidoammonium IUPAC Name: (E)-[4-(2-acetamidoacetyl)piperazin-1-yl]-(2,4-dinitrophenoxy)imino-oxidoazanium Traditional Name: (E)-[4-(2-acetamidoacetyl)piperazino]-(2,4-dinitrophenyl)oximino-oxido-ammonium Formula: C14H17N7O8 MolecularWeight: 411.32688

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC(=O)N1CCN(CC1)[N+](=NOC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])[O-]

Isomeric SMILES

CC(=O)NCC(=O)N1CCN(CC1)/[N+](=N\OC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])/[O-]

InChI

InChI=1S/C14H17N7O8/c1-10(22)15-9-14(23)17-4-6-18(7-5-17)21(28)16-29-13-3-2-11(19(24)25)8-12(13)20(26)27/h2-3,8H,4-7,9H2,1H3,(H,15,22)/b21-16+