2-[cyclopenta-1,3-dien-1-yl(methyl)amino]-2-methylimino-ethanoate; zirconium(2+); dichloride

Systemtic Name: 2-[cyclopenta-1,3-dien-1-yl(methyl)amino]-2-methylimino-ethanoate; zirconium(2+); dichloride Openeye Name: 2-[cyclopenta-1,3-dien-1-yl(methyl)amino]-2-methylimino-acetate; zirconium(2+); dichloride CAS Name: 2-[1-cyclopenta-1,3-dienyl(methyl)amino]-2-methyliminoacetate; zirconium(2+); dichloride IUPAC Name: 2-[cyclopenta-1,3-dien-1-yl(methyl)amino]-2-methyliminoacetate; zirconium(2+); dichloride Traditional Name: 2-[cyclopenta-1,3-dien-1-yl(methyl)amino]-2-methylimino-acetate; zirconium(2+); dichloride Formula: C36H44Cl2N8O8Zr-4 MolecularWeight: 878.91336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN=C(C(=O)[O-])N(C)C1=CC=CC1.CN=C(C(=O)[O-])N(C)C1=CC=CC1.CN=C(C(=O)[O-])N(C)C1=CC=CC1.CN=C(C(=O)[O-])N(C)C1=CC=CC1.[Cl-].[Cl-].[Zr+2]

Isomeric SMILES

CN=C(C(=O)[O-])N(C)C1=CC=CC1.CN=C(C(=O)[O-])N(C)C1=CC=CC1.CN=C(C(=O)[O-])N(C)C1=CC=CC1.CN=C(C(=O)[O-])N(C)C1=CC=CC1.[Cl-].[Cl-].[Zr+2]

InChI

InChI=1S/4C9H12N2O2.2ClH.Zr/c4*1-10-8(9(12)13)11(2)7-5-3-4-6-7;;;/h4*3-5H,6H2,1-2H3,(H,12,13);2*1H;/q;;;;;;+2/p-6