[5-(6-methyl-2-oxidanylidene-1,4-benzoxazin-3-yl)-2-(2-methylpropanoyloxy)-3-nitro-phenyl] 2-methylpropanoate

Systemtic Name: [5-(6-methyl-2-oxidanylidene-1,4-benzoxazin-3-yl)-2-(2-methylpropanoyloxy)-3-nitro-phenyl] 2-methylpropanoate Openeye Name: [5-(6-methyl-2-oxo-1,4-benzoxazin-3-yl)-2-(2-methylpropanoyloxy)-3-nitro-phenyl] 2-methylpropanoate CAS Name: 2-methylpropanoic acid [5-(6-methyl-2-oxo-1,4-benzoxazin-3-yl)-2-(2-methyl-1-oxopropoxy)-3-nitrophenyl] ester IUPAC Name: [5-(6-methyl-2-oxo-1,4-benzoxazin-3-yl)-2-(2-methylpropanoyloxy)-3-nitrophenyl] 2-methylpropanoate Traditional Name: 2-methylpropionic acid [2-isobutyryloxy-5-(2-keto-6-methyl-1,4-benzoxazin-3-yl)-3-nitro-phenyl] ester Formula: C23H22N2O8 MolecularWeight: 454.42938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(=O)C(=N2)C3=CC(=C(C(=C3)OC(=O)C(C)C)OC(=O)C(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)OC(=O)C(=N2)C3=CC(=C(C(=C3)OC(=O)C(C)C)OC(=O)C(C)C)[N+](=O)[O-]

InChI

InChI=1S/C23H22N2O8/c1-11(2)21(26)32-18-10-14(9-16(25(29)30)20(18)33-22(27)12(3)4)19-23(28)31-17-7-6-13(5)8-15(17)24-19/h6-12H,1-5H3