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

Systemtic Name: (Z)-(2,4-dinitrophenoxy)imino-(4-ethylsulfanylcarbonylpiperazin-1-yl)-oxidanidyl-azanium Openeye Name: (Z)-(2,4-dinitrophenoxy)imino-(4-ethylsulfanylcarbonylpiperazin-1-yl)-oxido-ammonium CAS Name: (Z)-(2,4-dinitrophenoxy)imino-[4-[(ethylthio)-oxomethyl]-1-piperazinyl]-oxidoammonium IUPAC Name: (Z)-(2,4-dinitrophenoxy)imino-(4-ethylsulfanylcarbonylpiperazin-1-yl)-oxidoazanium Traditional Name: (Z)-(2,4-dinitrophenyl)oximino-[4-(ethylthio)carbonylpiperazino]-oxido-ammonium Formula: C13H16N6O7S MolecularWeight: 400.36714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N6O7S/c1-2-27-13(20)15-5-7-16(8-6-15)19(25)14-26-12-4-3-10(17(21)22)9-11(12)18(23)24/h3-4,9H,2,5-8H2,1H3/b19-14-