zinc ethyl (5Z)-5-[(4-ethoxycarbonyl-3,5-dimethyl-pyrrol-1-id-2-yl)methylidene]-2,4-dimethyl-pyrrole-3-carboxylate

Systemtic Name: zinc ethyl (5Z)-5-[(4-ethoxycarbonyl-3,5-dimethyl-pyrrol-1-id-2-yl)methylidene]-2,4-dimethyl-pyrrole-3-carboxylate Openeye Name: zinc ethyl (5Z)-5-[(4-ethoxycarbonyl-3,5-dimethyl-pyrrol-1-id-2-yl)methylene]-2,4-dimethyl-pyrrole-3-carboxylate CAS Name: zinc (5Z)-5-[(4-ethoxycarbonyl-3,5-dimethyl-2-pyrrol-1-idyl)methylidene]-2,4-dimethyl-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: zinc ethyl (5Z)-5-[(4-ethoxycarbonyl-3,5-dimethylpyrrol-1-id-2-yl)methylidene]-2,4-dimethylpyrrole-3-carboxylate Traditional Name: zinc (5Z)-5-[(4-carbethoxy-3,5-dimethyl-pyrrol-1-id-2-yl)methylene]-2,4-dimethyl-pyrrole-3-carboxylic acid ethyl ester Formula: C38H46N4O8Zn MolecularWeight: 752.20284

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=CC2=C(C(=C([N-]2)C)C(=O)OCC)C)N=C1C)C.CCOC(=O)C1=C(C(=CC2=C(C(=C([N-]2)C)C(=O)OCC)C)N=C1C)C.[Zn+2]

Isomeric SMILES

CCOC(=O)C1=C(/C(=C/C2=C(C(=C([N-]2)C)C(=O)OCC)C)/N=C1C)C.CCOC(=O)C1=C(/C(=C/C2=C(C(=C([N-]2)C)C(=O)OCC)C)/N=C1C)C.[Zn+2]

InChI

InChI=1S/2C19H24N2O4.Zn/c2*1-7-24-18(22)16-10(3)14(20-12(16)5)9-15-11(4)17(13(6)21-15)19(23)25-8-2;/h2*9H,7-8H2,1-6H3,(H,20,21,22,23);/q;;+2/p-2