[2-(3,4-dimethylphenyl)-2-oxidanylidene-ethyl] 2-(2-methoxyethylamino)-5-nitro-benzoate

Systemtic Name: [2-(3,4-dimethylphenyl)-2-oxidanylidene-ethyl] 2-(2-methoxyethylamino)-5-nitro-benzoate Openeye Name: [2-(3,4-dimethylphenyl)-2-oxo-ethyl] 2-(2-methoxyethylamino)-5-nitro-benzoate CAS Name: 2-(2-methoxyethylamino)-5-nitrobenzoic acid [2-(3,4-dimethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethylphenyl)-2-oxoethyl] 2-(2-methoxyethylamino)-5-nitrobenzoate Traditional Name: 2-(2-methoxyethylamino)-5-nitro-benzoic acid [2-(3,4-dimethylphenyl)-2-keto-ethyl] ester Formula: C20H22N2O6 MolecularWeight: 386.39848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O6/c1-13-4-5-15(10-14(13)2)19(23)12-28-20(24)17-11-16(22(25)26)6-7-18(17)21-8-9-27-3/h4-7,10-11,21H,8-9,12H2,1-3H3