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

Systemtic Name: (Z)-(2,4-dinitrophenoxy)imino-(4-ethylsulfanylcarbonyl-1,4-diazepan-1-yl)-oxidanidyl-azanium Openeye Name: (Z)-(2,4-dinitrophenoxy)imino-(4-ethylsulfanylcarbonyl-1,4-diazepan-1-yl)-oxido-ammonium CAS Name: (Z)-(2,4-dinitrophenoxy)imino-[4-[(ethylthio)-oxomethyl]-1,4-diazepan-1-yl]-oxidoammonium IUPAC Name: (Z)-(2,4-dinitrophenoxy)imino-(4-ethylsulfanylcarbonyl-1,4-diazepan-1-yl)-oxidoazanium Traditional Name: (Z)-(2,4-dinitrophenyl)oximino-[4-(ethylthio)carbonyl-1,4-diazepan-1-yl]-oxido-ammonium Formula: C14H18N6O7S MolecularWeight: 414.39372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N6O7S/c1-2-28-14(21)16-6-3-7-17(9-8-16)20(26)15-27-13-5-4-11(18(22)23)10-12(13)19(24)25/h4-5,10H,2-3,6-9H2,1H3/b20-15-