2-(2-methylphenoxy)ethyl 4-morpholin-4-yl-3-nitro-benzoate

Systemtic Name: 2-(2-methylphenoxy)ethyl 4-morpholin-4-yl-3-nitro-benzoate Openeye Name: 2-(2-methylphenoxy)ethyl 4-morpholino-3-nitro-benzoate CAS Name: 4-(4-morpholinyl)-3-nitrobenzoic acid 2-(2-methylphenoxy)ethyl ester IUPAC Name: 2-(2-methylphenoxy)ethyl 4-morpholin-4-yl-3-nitrobenzoate Traditional Name: 4-morpholino-3-nitro-benzoic acid 2-(2-methylphenoxy)ethyl ester Formula: C20H22N2O6 MolecularWeight: 386.39848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCCOC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1OCCOC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H22N2O6/c1-15-4-2-3-5-19(15)27-12-13-28-20(23)16-6-7-17(18(14-16)22(24)25)21-8-10-26-11-9-21/h2-7,14H,8-13H2,1H3