ethyl 3-[2-(2,4-dimethylphenoxy)ethylcarbamoyl]-5-nitro-benzoate

Systemtic Name: ethyl 3-[2-(2,4-dimethylphenoxy)ethylcarbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-[2-(2,4-dimethylphenoxy)ethylcarbamoyl]-5-nitro-benzoate CAS Name: 3-[[2-(2,4-dimethylphenoxy)ethylamino]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[2-(2,4-dimethylphenoxy)ethylcarbamoyl]-5-nitrobenzoate Traditional Name: 3-[2-(2,4-dimethylphenoxy)ethylcarbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C20H22N2O6 MolecularWeight: 386.39848

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)NCCOC2=C(C=C(C=C2)C)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)NCCOC2=C(C=C(C=C2)C)C)[N+](=O)[O-]

InChI

InChI=1S/C20H22N2O6/c1-4-27-20(24)16-10-15(11-17(12-16)22(25)26)19(23)21-7-8-28-18-6-5-13(2)9-14(18)3/h5-6,9-12H,4,7-8H2,1-3H3,(H,21,23)