2-(3,5-dimethylphenoxy)ethyl 4-(2-methoxyethylamino)-3-nitro-benzoate

Systemtic Name: 2-(3,5-dimethylphenoxy)ethyl 4-(2-methoxyethylamino)-3-nitro-benzoate Openeye Name: 2-(3,5-dimethylphenoxy)ethyl 4-(2-methoxyethylamino)-3-nitro-benzoate CAS Name: 4-(2-methoxyethylamino)-3-nitrobenzoic acid 2-(3,5-dimethylphenoxy)ethyl ester IUPAC Name: 2-(3,5-dimethylphenoxy)ethyl 4-(2-methoxyethylamino)-3-nitrobenzoate Traditional Name: 4-(2-methoxyethylamino)-3-nitro-benzoic acid 2-(3,5-dimethylphenoxy)ethyl ester Formula: C20H24N2O6 MolecularWeight: 388.41436

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O6/c1-14-10-15(2)12-17(11-14)27-8-9-28-20(23)16-4-5-18(21-6-7-26-3)19(13-16)22(24)25/h4-5,10-13,21H,6-9H2,1-3H3