(Z)-(2,4-dinitrophenoxy)imino-oxidanidyl-(4-prop-2-ynoxycarbonylpiperazin-1-yl)azanium

Systemtic Name: (Z)-(2,4-dinitrophenoxy)imino-oxidanidyl-(4-prop-2-ynoxycarbonylpiperazin-1-yl)azanium Openeye Name: (Z)-(2,4-dinitrophenoxy)imino-oxido-(4-prop-2-ynoxycarbonylpiperazin-1-yl)ammonium CAS Name: (Z)-(2,4-dinitrophenoxy)imino-oxido-[4-[oxo(prop-2-ynoxy)methyl]-1-piperazinyl]ammonium IUPAC Name: (Z)-(2,4-dinitrophenoxy)imino-oxido-(4-prop-2-ynoxycarbonylpiperazin-1-yl)azanium Traditional Name: (Z)-(2,4-dinitrophenyl)oximino-oxido-(4-propargyloxycarbonylpiperazino)ammonium Formula: C14H14N6O8 MolecularWeight: 394.29636

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Descriptors Computed from Structure

Canonical SMILES:

C#CCOC(=O)N1CCN(CC1)[N+](=NOC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])[O-]

Isomeric SMILES

C#CCOC(=O)N1CCN(CC1)/[N+](=N/OC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])/[O-]

InChI

InChI=1S/C14H14N6O8/c1-2-9-27-14(21)16-5-7-17(8-6-16)20(26)15-28-13-4-3-11(18(22)23)10-12(13)19(24)25/h1,3-4,10H,5-9H2/b20-15-