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

Systemtic Name: zinc 5-[3-methyl-2,5-bis(oxidanylidene)pyrrol-1-yl]-1H-pyrazole-4-carboxylate Openeye Name: zinc 5-(3-methyl-2,5-dioxo-pyrrol-1-yl)-1H-pyrazole-4-carboxylate CAS Name: zinc 5-(3-methyl-2,5-dioxo-1-pyrrolyl)-1H-pyrazole-4-carboxylate IUPAC Name: zinc 5-(3-methyl-2,5-dioxopyrrol-1-yl)-1H-pyrazole-4-carboxylate Traditional Name: zinc 5-citraconimido-1H-pyrazole-4-carboxylate Formula: C18H12N6O8Zn MolecularWeight: 505.73228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N(C1=O)C2=C(C=NN2)C(=O)[O-].CC1=CC(=O)N(C1=O)C2=C(C=NN2)C(=O)[O-].[Zn+2]

Isomeric SMILES

CC1=CC(=O)N(C1=O)C2=C(C=NN2)C(=O)[O-].CC1=CC(=O)N(C1=O)C2=C(C=NN2)C(=O)[O-].[Zn+2]

InChI

InChI=1S/2C9H7N3O4.Zn/c2*1-4-2-6(13)12(8(4)14)7-5(9(15)16)3-10-11-7;/h2*2-3H,1H3,(H,10,11)(H,15,16);/q;;+2/p-2