cobalt; 5-methyl-4-[(2E)-2-[3-(2-methylbutan-2-yl)-5-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene]hydrazinyl]-2-phenyl-1H-pyrazol-3-one

Systemtic Name: cobalt; 5-methyl-4-[(2E)-2-[3-(2-methylbutan-2-yl)-5-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene]hydrazinyl]-2-phenyl-1H-pyrazol-3-one Openeye Name: cobalt; 4-[(2E)-2-[3-(1,1-dimethylpropyl)-5-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene]hydrazino]-5-methyl-2-phenyl-1H-pyrazol-3-one CAS Name: cobalt; 5-methyl-4-[(2E)-2-[3-(2-methylbutan-2-yl)-5-nitro-6-oxo-1-cyclohexa-2,4-dienylidene]hydrazinyl]-2-phenyl-1H-pyrazol-3-one IUPAC Name: cobalt; 5-methyl-4-[(2E)-2-[3-(2-methylbutan-2-yl)-5-nitro-6-oxocyclohexa-2,4-dien-1-ylidene]hydrazinyl]-2-phenyl-1H-pyrazol-3-one Traditional Name: 4-[(N'E)-N'-(3-tert-amyl-6-keto-5-nitro-cyclohexa-2,4-dien-1-ylidene)hydrazino]-5-methyl-2-phenyl-3-pyrazolin-3-one; cobalt Formula: C42H46CoN10O8 MolecularWeight: 877.81004

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC(=NNC2=C(NN(C2=O)C3=CC=CC=C3)C)C(=O)C(=C1)[N+](=O)[O-].CCC(C)(C)C1=CC(=NNC2=C(NN(C2=O)C3=CC=CC=C3)C)C(=O)C(=C1)[N+](=O)[O-].[Co]

Isomeric SMILES

CCC(C1=C/C(=N\NC2=C(NN(C2=O)C3=CC=CC=C3)C)/C(=O)C(=C1)[N+](=O)[O-])(C)C.CCC(C1=C/C(=N\NC2=C(NN(C2=O)C3=CC=CC=C3)C)/C(=O)C(=C1)[N+](=O)[O-])(C)C.[Co]

InChI

InChI=1S/2C21H23N5O4.Co/c2*1-5-21(3,4)14-11-16(19(27)17(12-14)26(29)30)22-23-18-13(2)24-25(20(18)28)15-9-7-6-8-10-15;/h2*6-12,23-24H,5H2,1-4H3;/b2*22-16+;