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

Systemtic Name: [2-(2-methylpropanoyloxy)-3-nitro-5-(2-oxidanylidene-6-propyl-1,4-benzoxazin-3-yl)phenyl] 2-methylpropanoate Openeye Name: [2-(2-methylpropanoyloxy)-3-nitro-5-(2-oxo-6-propyl-1,4-benzoxazin-3-yl)phenyl] 2-methylpropanoate CAS Name: 2-methylpropanoic acid [2-(2-methyl-1-oxopropoxy)-3-nitro-5-(2-oxo-6-propyl-1,4-benzoxazin-3-yl)phenyl] ester IUPAC Name: [2-(2-methylpropanoyloxy)-3-nitro-5-(2-oxo-6-propyl-1,4-benzoxazin-3-yl)phenyl] 2-methylpropanoate Traditional Name: 2-methylpropionic acid [2-isobutyryloxy-5-(2-keto-6-propyl-1,4-benzoxazin-3-yl)-3-nitro-phenyl] ester Formula: C25H26N2O8 MolecularWeight: 482.48254

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=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

CCCC1=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/C25H26N2O8/c1-6-7-15-8-9-19-17(10-15)26-21(25(30)33-19)16-11-18(27(31)32)22(35-24(29)14(4)5)20(12-16)34-23(28)13(2)3/h8-14H,6-7H2,1-5H3