[2-(2-methylpropanoyloxy)-3-nitro-5-quinoxalin-2-yl-phenyl] 2-methylpropanoate

Systemtic Name: [2-(2-methylpropanoyloxy)-3-nitro-5-quinoxalin-2-yl-phenyl] 2-methylpropanoate Openeye Name: [2-(2-methylpropanoyloxy)-3-nitro-5-quinoxalin-2-yl-phenyl] 2-methylpropanoate CAS Name: 2-methylpropanoic acid [2-(2-methyl-1-oxopropoxy)-3-nitro-5-(2-quinoxalinyl)phenyl] ester IUPAC Name: [2-(2-methylpropanoyloxy)-3-nitro-5-quinoxalin-2-ylphenyl] 2-methylpropanoate Traditional Name: 2-methylpropionic acid (2-isobutyryloxy-3-nitro-5-quinoxalin-2-yl-phenyl) ester Formula: C22H21N3O6 MolecularWeight: 423.41864

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)OC1=CC(=CC(=C1OC(=O)C(C)C)[N+](=O)[O-])C2=NC3=CC=CC=C3N=C2

Isomeric SMILES

CC(C)C(=O)OC1=CC(=CC(=C1OC(=O)C(C)C)[N+](=O)[O-])C2=NC3=CC=CC=C3N=C2

InChI

InChI=1S/C22H21N3O6/c1-12(2)21(26)30-19-10-14(17-11-23-15-7-5-6-8-16(15)24-17)9-18(25(28)29)20(19)31-22(27)13(3)4/h5-13H,1-4H3