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

Systemtic Name: (2,6-dimethylphenyl) 4-morpholin-4-yl-3-nitro-benzoate Openeye Name: (2,6-dimethylphenyl) 4-morpholino-3-nitro-benzoate CAS Name: 4-(4-morpholinyl)-3-nitrobenzoic acid (2,6-dimethylphenyl) ester IUPAC Name: (2,6-dimethylphenyl) 4-morpholin-4-yl-3-nitrobenzoate Traditional Name: 4-morpholino-3-nitro-benzoic acid (2,6-dimethylphenyl) ester Formula: C19H20N2O5 MolecularWeight: 356.3725

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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