zinc 4-[[3-methyl-2,5-bis(oxidanylidene)pyrrol-1-yl]methyl]benzoate

Systemtic Name: zinc 4-[[3-methyl-2,5-bis(oxidanylidene)pyrrol-1-yl]methyl]benzoate Openeye Name: zinc 4-[(3-methyl-2,5-dioxo-pyrrol-1-yl)methyl]benzoate CAS Name: zinc 4-[(3-methyl-2,5-dioxo-1-pyrrolyl)methyl]benzoate IUPAC Name: zinc 4-[(3-methyl-2,5-dioxopyrrol-1-yl)methyl]benzoate Traditional Name: zinc 4-(citraconimidomethyl)benzoate Formula: C26H20N2O8Zn MolecularWeight: 553.8546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N(C1=O)CC2=CC=C(C=C2)C(=O)[O-].CC1=CC(=O)N(C1=O)CC2=CC=C(C=C2)C(=O)[O-].[Zn+2]

Isomeric SMILES

CC1=CC(=O)N(C1=O)CC2=CC=C(C=C2)C(=O)[O-].CC1=CC(=O)N(C1=O)CC2=CC=C(C=C2)C(=O)[O-].[Zn+2]

InChI

InChI=1S/2C13H11NO4.Zn/c2*1-8-6-11(15)14(12(8)16)7-9-2-4-10(5-3-9)13(17)18;/h2*2-6H,7H2,1H3,(H,17,18);/q;;+2/p-2