[2-oxidanylidene-2-(2,4,5-trimethylphenyl)ethyl] 2-(2-methoxyethylamino)-5-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-(2,4,5-trimethylphenyl)ethyl] 2-(2-methoxyethylamino)-5-nitro-benzoate Openeye Name: [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 2-(2-methoxyethylamino)-5-nitro-benzoate CAS Name: 2-(2-methoxyethylamino)-5-nitrobenzoic acid [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 2-(2-methoxyethylamino)-5-nitrobenzoate Traditional Name: 2-(2-methoxyethylamino)-5-nitro-benzoic acid [2-keto-2-(2,4,5-trimethylphenyl)ethyl] ester Formula: C21H24N2O6 MolecularWeight: 400.42506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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