[2-(2,2-dimethylpropanoyloxy)-5-(6-methyl-2-oxidanylidene-1,2-benzoxazin-2-ium-3-yl)-3-nitro-phenyl] 2,2-dimethylpropanoate

Systemtic Name: [2-(2,2-dimethylpropanoyloxy)-5-(6-methyl-2-oxidanylidene-1,2-benzoxazin-2-ium-3-yl)-3-nitro-phenyl] 2,2-dimethylpropanoate Openeye Name: [2-(2,2-dimethylpropanoyloxy)-5-(6-methyl-2-oxo-1,2-benzoxazin-2-ium-3-yl)-3-nitro-phenyl] 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [2-(2,2-dimethyl-1-oxopropoxy)-5-(6-methyl-2-oxo-1,2-benzoxazin-2-ium-3-yl)-3-nitrophenyl] ester IUPAC Name: [2-(2,2-dimethylpropanoyloxy)-5-(6-methyl-2-oxo-1,2-benzoxazin-2-ium-3-yl)-3-nitrophenyl] 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [5-(2-keto-6-methyl-1,2-benzoxazin-2-ium-3-yl)-3-nitro-2-pivaloyloxy-phenyl] ester Formula: C25H27N2O8+ MolecularWeight: 483.49048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)O[N+](=O)C(=C2)C3=CC(=C(C(=C3)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)O[N+](=O)C(=C2)C3=CC(=C(C(=C3)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C25H27N2O8/c1-14-8-9-19-16(10-14)12-17(27(32)35-19)15-11-18(26(30)31)21(34-23(29)25(5,6)7)20(13-15)33-22(28)24(2,3)4/h8-13H,1-7H3/q+1