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

Systemtic Name: [2-(2,5-diethylphenyl)-2-oxidanylidene-ethyl] 2-(2-methoxyethylamino)-5-nitro-benzoate Openeye Name: [2-(2,5-diethylphenyl)-2-oxo-ethyl] 2-(2-methoxyethylamino)-5-nitro-benzoate CAS Name: 2-(2-methoxyethylamino)-5-nitrobenzoic acid [2-(2,5-diethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-diethylphenyl)-2-oxoethyl] 2-(2-methoxyethylamino)-5-nitrobenzoate Traditional Name: 2-(2-methoxyethylamino)-5-nitro-benzoic acid [2-(2,5-diethylphenyl)-2-keto-ethyl] ester Formula: C22H26N2O6 MolecularWeight: 414.45164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)CC)C(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCCOC

Isomeric SMILES

CCC1=CC(=C(C=C1)CC)C(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCCOC

InChI

InChI=1S/C22H26N2O6/c1-4-15-6-7-16(5-2)18(12-15)21(25)14-30-22(26)19-13-17(24(27)28)8-9-20(19)23-10-11-29-3/h6-9,12-13,23H,4-5,10-11,14H2,1-3H3