(4-methoxycarbonylphenyl) 2-morpholin-4-yl-5-nitro-benzoate

Systemtic Name: (4-methoxycarbonylphenyl) 2-morpholin-4-yl-5-nitro-benzoate Openeye Name: (4-methoxycarbonylphenyl) 2-morpholino-5-nitro-benzoate CAS Name: 2-(4-morpholinyl)-5-nitrobenzoic acid (4-methoxycarbonylphenyl) ester IUPAC Name: (4-methoxycarbonylphenyl) 2-morpholin-4-yl-5-nitrobenzoate Traditional Name: 2-morpholino-5-nitro-benzoic acid (4-carbomethoxyphenyl) ester Formula: C19H18N2O7 MolecularWeight: 386.35542

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N2O7/c1-26-18(22)13-2-5-15(6-3-13)28-19(23)16-12-14(21(24)25)4-7-17(16)20-8-10-27-11-9-20/h2-7,12H,8-11H2,1H3