4-[[5-[bis(oxidanidyl)amino]-3-(2,2-dimethylpropyl)-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene]hydrazinylidene]-5-methyl-2-phenyl-pyrazol-3-one

Systemtic Name: 4-[[5-[bis(oxidanidyl)amino]-3-(2,2-dimethylpropyl)-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene]hydrazinylidene]-5-methyl-2-phenyl-pyrazol-3-one Openeye Name: 4-[[3-(2,2-dimethylpropyl)-5-(dioxidoamino)-6-oxo-cyclohexa-2,4-dien-1-ylidene]hydrazono]-5-methyl-2-phenyl-pyrazol-3-one CAS Name: 4-[[3-(2,2-dimethylpropyl)-5-(dioxidoamino)-6-oxo-1-cyclohexa-2,4-dienylidene]hydrazinylidene]-5-methyl-2-phenyl-3-pyrazolone IUPAC Name: 4-[[3-(2,2-dimethylpropyl)-5-(dioxidoamino)-6-oxocyclohexa-2,4-dien-1-ylidene]hydrazinylidene]-5-methyl-2-phenylpyrazol-3-one Traditional Name: 4-[[5-(dioxidoamino)-6-keto-3-neopentyl-cyclohexa-2,4-dien-1-ylidene]hydrazono]-5-methyl-2-phenyl-2-pyrazolin-3-one Formula: C21H21N5O4-2 MolecularWeight: 407.42254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=NN=C2C=C(C=C(C2=O)N([O-])[O-])CC(C)(C)C)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=O)C1=NN=C2C=C(C=C(C2=O)N([O-])[O-])CC(C)(C)C)C3=CC=CC=C3

InChI

InChI=1S/C21H21N5O4/c1-13-18(20(28)25(24-13)15-8-6-5-7-9-15)23-22-16-10-14(12-21(2,3)4)11-17(19(16)27)26(29)30/h5-11H,12H2,1-4H3/q-2