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

Systemtic Name: (Z)-(2,4-dinitrophenoxy)imino-oxidanidyl-(4-prop-2-ynoxycarbonyl-1,4-diazepan-1-yl)azanium Openeye Name: (Z)-(2,4-dinitrophenoxy)imino-oxido-(4-prop-2-ynoxycarbonyl-1,4-diazepan-1-yl)ammonium CAS Name: (Z)-(2,4-dinitrophenoxy)imino-oxido-[4-[oxo(prop-2-ynoxy)methyl]-1,4-diazepan-1-yl]ammonium IUPAC Name: (Z)-(2,4-dinitrophenoxy)imino-oxido-(4-prop-2-ynoxycarbonyl-1,4-diazepan-1-yl)azanium Traditional Name: (Z)-(2,4-dinitrophenyl)oximino-oxido-(4-propargyloxycarbonyl-1,4-diazepan-1-yl)ammonium Formula: C15H16N6O8 MolecularWeight: 408.32294

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Descriptors Computed from Structure

Canonical SMILES:

C#CCOC(=O)N1CCCN(CC1)[N+](=NOC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])[O-]

Isomeric SMILES

C#CCOC(=O)N1CCCN(CC1)/[N+](=N/OC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])/[O-]

InChI

InChI=1S/C15H16N6O8/c1-2-10-28-15(22)17-6-3-7-18(9-8-17)21(27)16-29-14-5-4-12(19(23)24)11-13(14)20(25)26/h1,4-5,11H,3,6-10H2/b21-16-