4-[2-[3-(2,2-dimethylpropyl)-5-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene]hydrazinyl]-5-methyl-2-phenyl-1H-pyrazol-3-one

Systemtic Name: 4-[2-[3-(2,2-dimethylpropyl)-5-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene]hydrazinyl]-5-methyl-2-phenyl-1H-pyrazol-3-one Openeye Name: 4-[2-[3-(2,2-dimethylpropyl)-5-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene]hydrazino]-5-methyl-2-phenyl-1H-pyrazol-3-one CAS Name: 4-[2-[3-(2,2-dimethylpropyl)-5-nitro-6-oxo-1-cyclohexa-2,4-dienylidene]hydrazinyl]-5-methyl-2-phenyl-1H-pyrazol-3-one IUPAC Name: 4-[2-[3-(2,2-dimethylpropyl)-5-nitro-6-oxocyclohexa-2,4-dien-1-ylidene]hydrazinyl]-5-methyl-2-phenyl-1H-pyrazol-3-one Traditional Name: 4-[N'-(6-keto-3-neopentyl-5-nitro-cyclohexa-2,4-dien-1-ylidene)hydrazino]-5-methyl-2-phenyl-3-pyrazolin-3-one Formula: C21H23N5O4 MolecularWeight: 409.43842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=CC=CC=C2)NN=C3C=C(C=C(C3=O)[N+](=O)[O-])CC(C)(C)C

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=CC=CC=C2)NN=C3C=C(C=C(C3=O)[N+](=O)[O-])CC(C)(C)C

InChI

InChI=1S/C21H23N5O4/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/h5-11,23-24H,12H2,1-4H3