(2,3,6-trimethylphenyl) 4-morpholin-4-yl-3-nitro-benzoate

Systemtic Name: (2,3,6-trimethylphenyl) 4-morpholin-4-yl-3-nitro-benzoate Openeye Name: (2,3,6-trimethylphenyl) 4-morpholino-3-nitro-benzoate CAS Name: 4-(4-morpholinyl)-3-nitrobenzoic acid (2,3,6-trimethylphenyl) ester IUPAC Name: (2,3,6-trimethylphenyl) 4-morpholin-4-yl-3-nitrobenzoate Traditional Name: 4-morpholino-3-nitro-benzoic acid (2,3,6-trimethylphenyl) ester Formula: C20H22N2O5 MolecularWeight: 370.39908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O5/c1-13-4-5-14(2)19(15(13)3)27-20(23)16-6-7-17(18(12-16)22(24)25)21-8-10-26-11-9-21/h4-7,12H,8-11H2,1-3H3