zinc 5-[4-(1,3-benzodioxol-5-ylmethyl)-1-methyl-imidazol-2-yl]imino-3-methyl-imidazolidin-1-ide-2,4-dione

Systemtic Name: zinc 5-[4-(1,3-benzodioxol-5-ylmethyl)-1-methyl-imidazol-2-yl]imino-3-methyl-imidazolidin-1-ide-2,4-dione Openeye Name: zinc 5-[4-(1,3-benzodioxol-5-ylmethyl)-1-methyl-imidazol-2-yl]imino-3-methyl-imidazolidin-1-ide-2,4-dione CAS Name: zinc 5-[[4-(1,3-benzodioxol-5-ylmethyl)-1-methyl-2-imidazolyl]imino]-3-methylimidazolidin-1-ide-2,4-dione IUPAC Name: zinc 5-[4-(1,3-benzodioxol-5-ylmethyl)-1-methylimidazol-2-yl]imino-3-methylimidazolidin-1-ide-2,4-dione Traditional Name: zinc 3-methyl-5-(1-methyl-4-piperonyl-imidazol-2-yl)imino-imidazolidin-1-ide-2,4-quinone Formula: C32H28N10O8Zn MolecularWeight: 746.03592

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(N=C1N=C2C(=O)N(C(=O)[N-]2)C)CC3=CC4=C(C=C3)OCO4.CN1C=C(N=C1N=C2C(=O)N(C(=O)[N-]2)C)CC3=CC4=C(C=C3)OCO4.[Zn+2]

Isomeric SMILES

CN1C=C(N=C1N=C2C(=O)N(C(=O)[N-]2)C)CC3=CC4=C(C=C3)OCO4.CN1C=C(N=C1N=C2C(=O)N(C(=O)[N-]2)C)CC3=CC4=C(C=C3)OCO4.[Zn+2]

InChI

InChI=1S/2C16H15N5O4.Zn/c2*1-20-7-10(5-9-3-4-11-12(6-9)25-8-24-11)17-15(20)18-13-14(22)21(2)16(23)19-13;/h2*3-4,6-7H,5,8H2,1-2H3,(H,17,18,19,23);/q;;+2/p-2