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

Systemtic Name: (3,5-dimethylphenyl) 4-morpholin-4-yl-3-nitro-benzoate Openeye Name: (3,5-dimethylphenyl) 4-morpholino-3-nitro-benzoate CAS Name: 4-(4-morpholinyl)-3-nitrobenzoic acid (3,5-dimethylphenyl) ester IUPAC Name: (3,5-dimethylphenyl) 4-morpholin-4-yl-3-nitrobenzoate Traditional Name: 4-morpholino-3-nitro-benzoic acid (3,5-dimethylphenyl) ester Formula: C19H20N2O5 MolecularWeight: 356.3725

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2O5/c1-13-9-14(2)11-16(10-13)26-19(22)15-3-4-17(18(12-15)21(23)24)20-5-7-25-8-6-20/h3-4,9-12H,5-8H2,1-2H3