(2,5-dimethylphenyl)methyl 4-morpholin-4-yl-3-nitro-benzoate

Systemtic Name: (2,5-dimethylphenyl)methyl 4-morpholin-4-yl-3-nitro-benzoate Openeye Name: (2,5-dimethylphenyl)methyl 4-morpholino-3-nitro-benzoate CAS Name: 4-(4-morpholinyl)-3-nitrobenzoic acid (2,5-dimethylphenyl)methyl ester IUPAC Name: (2,5-dimethylphenyl)methyl 4-morpholin-4-yl-3-nitrobenzoate Traditional Name: 4-morpholino-3-nitro-benzoic acid (2,5-dimethylbenzyl) ester Formula: C20H22N2O5 MolecularWeight: 370.39908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O5/c1-14-3-4-15(2)17(11-14)13-27-20(23)16-5-6-18(19(12-16)22(24)25)21-7-9-26-10-8-21/h3-6,11-12H,7-10,13H2,1-2H3