[2-oxidanylidene-2-(2,3,4,5-tetramethylphenyl)ethyl] 4-morpholin-4-yl-3-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-(2,3,4,5-tetramethylphenyl)ethyl] 4-morpholin-4-yl-3-nitro-benzoate Openeye Name: [2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 4-morpholino-3-nitro-benzoate CAS Name: 4-(4-morpholinyl)-3-nitrobenzoic acid [2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 4-morpholin-4-yl-3-nitrobenzoate Traditional Name: 4-morpholino-3-nitro-benzoic acid [2-keto-2-(2,3,4,5-tetramethylphenyl)ethyl] ester Formula: C23H26N2O6 MolecularWeight: 426.46234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1)C(=O)COC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-])C)C)C

Isomeric SMILES

CC1=C(C(=C(C(=C1)C(=O)COC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-])C)C)C

InChI

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