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

Systemtic Name: 2-(2,5-dimethylphenoxy)ethyl 4-morpholin-4-yl-3-nitro-benzoate Openeye Name: 2-(2,5-dimethylphenoxy)ethyl 4-morpholino-3-nitro-benzoate CAS Name: 4-(4-morpholinyl)-3-nitrobenzoic acid 2-(2,5-dimethylphenoxy)ethyl ester IUPAC Name: 2-(2,5-dimethylphenoxy)ethyl 4-morpholin-4-yl-3-nitrobenzoate Traditional Name: 4-morpholino-3-nitro-benzoic acid 2-(2,5-dimethylphenoxy)ethyl ester Formula: C21H24N2O6 MolecularWeight: 400.42506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)OCCOC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C)OCCOC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H24N2O6/c1-15-3-4-16(2)20(13-15)28-11-12-29-21(24)17-5-6-18(19(14-17)23(25)26)22-7-9-27-10-8-22/h3-6,13-14H,7-12H2,1-2H3