(3-ethanoyl-2,4,6-trimethyl-phenyl)methyl 2-morpholin-4-yl-5-nitro-benzoate

Systemtic Name: (3-ethanoyl-2,4,6-trimethyl-phenyl)methyl 2-morpholin-4-yl-5-nitro-benzoate Openeye Name: (3-acetyl-2,4,6-trimethyl-phenyl)methyl 2-morpholino-5-nitro-benzoate CAS Name: 2-(4-morpholinyl)-5-nitrobenzoic acid (3-acetyl-2,4,6-trimethylphenyl)methyl ester IUPAC Name: (3-acetyl-2,4,6-trimethylphenyl)methyl 2-morpholin-4-yl-5-nitrobenzoate Traditional Name: 2-morpholino-5-nitro-benzoic acid (3-acetyl-2,4,6-trimethyl-benzyl) ester Formula: C23H26N2O6 MolecularWeight: 426.46234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C(=O)C)C)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3)C

Isomeric SMILES

CC1=CC(=C(C(=C1C(=O)C)C)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3)C

InChI

InChI=1S/C23H26N2O6/c1-14-11-15(2)22(17(4)26)16(3)20(14)13-31-23(27)19-12-18(25(28)29)5-6-21(19)24-7-9-30-10-8-24/h5-6,11-12H,7-10,13H2,1-4H3