(2-chloranyl-5-nitro-phenyl)-[2-(2,6-dipyridin-2-ylpyridin-4-yl)oxy-4,4-dimethyl-pentanoyl]-oxidanylidene-azanium

Systemtic Name: (2-chloranyl-5-nitro-phenyl)-[2-(2,6-dipyridin-2-ylpyridin-4-yl)oxy-4,4-dimethyl-pentanoyl]-oxidanylidene-azanium Openeye Name: [2-[[2,6-bis(2-pyridyl)-4-pyridyl]oxy]-4,4-dimethyl-pentanoyl]-(2-chloro-5-nitro-phenyl)-oxo-ammonium CAS Name: [2-[[2,6-bis(2-pyridinyl)-4-pyridinyl]oxy]-4,4-dimethyl-1-oxopentyl]-(2-chloro-5-nitrophenyl)-oxoammonium IUPAC Name: (2-chloro-5-nitrophenyl)-[2-(2,6-dipyridin-2-ylpyridin-4-yl)oxy-4,4-dimethylpentanoyl]-oxoazanium Traditional Name: [2-[[2,6-bis(2-pyridyl)-4-pyridyl]oxy]-4,4-dimethyl-pentanoyl]-(2-chloro-5-nitro-phenyl)-keto-ammonium Formula: C28H25ClN5O5+ MolecularWeight: 546.9816

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(C(=O)[N+](=O)C1=C(C=CC(=C1)[N+](=O)[O-])Cl)OC2=CC(=NC(=C2)C3=CC=CC=N3)C4=CC=CC=N4

Isomeric SMILES

CC(C)(C)CC(C(=O)[N+](=O)C1=C(C=CC(=C1)[N+](=O)[O-])Cl)OC2=CC(=NC(=C2)C3=CC=CC=N3)C4=CC=CC=N4

InChI

InChI=1S/C28H25ClN5O5/c1-28(2,3)17-26(27(35)33(36)25-14-18(34(37)38)10-11-20(25)29)39-19-15-23(21-8-4-6-12-30-21)32-24(16-19)22-9-5-7-13-31-22/h4-16,26H,17H2,1-3H3/q+1