[[3-(2-methylbutan-2-yl)-5-nitro-phenyl]amino]-(5-methyl-3-oxidanylidene-2-phenyl-1H-pyrazol-4-yl)-oxidanylidene-azanium

Systemtic Name: [[3-(2-methylbutan-2-yl)-5-nitro-phenyl]amino]-(5-methyl-3-oxidanylidene-2-phenyl-1H-pyrazol-4-yl)-oxidanylidene-azanium Openeye Name: [3-(1,1-dimethylpropyl)-5-nitro-anilino]-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-oxo-ammonium CAS Name: [3-(2-methylbutan-2-yl)-5-nitroanilino]-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-oxoammonium IUPAC Name: [3-(2-methylbutan-2-yl)-5-nitroanilino]-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-oxoazanium Traditional Name: (3-tert-amyl-5-nitro-anilino)-keto-(5-keto-3-methyl-1-phenyl-3-pyrazolin-4-yl)ammonium Formula: C21H24N5O4+ MolecularWeight: 410.44636

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N5O4/c1-5-21(3,4)15-11-16(13-18(12-15)26(29)30)23-25(28)19-14(2)22-24(20(19)27)17-9-7-6-8-10-17/h6-13H,5H2,1-4H3,(H-,22,23,27,28)/p+1