[2-oxidanylidene-2-(2,4,6-trimethylphenyl)ethyl] 4-(2-methoxyethylamino)-3-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-(2,4,6-trimethylphenyl)ethyl] 4-(2-methoxyethylamino)-3-nitro-benzoate Openeye Name: [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 4-(2-methoxyethylamino)-3-nitro-benzoate CAS Name: 4-(2-methoxyethylamino)-3-nitrobenzoic acid [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 4-(2-methoxyethylamino)-3-nitrobenzoate Traditional Name: 4-(2-methoxyethylamino)-3-nitro-benzoic acid (2-keto-2-mesityl-ethyl) ester Formula: C21H24N2O6 MolecularWeight: 400.42506

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O6/c1-13-9-14(2)20(15(3)10-13)19(24)12-29-21(25)16-5-6-17(22-7-8-28-4)18(11-16)23(26)27/h5-6,9-11,22H,7-8,12H2,1-4H3