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

Systemtic Name: (4-methoxycarbonylphenyl)methyl 2-morpholin-4-yl-5-nitro-benzoate Openeye Name: (4-methoxycarbonylphenyl)methyl 2-morpholino-5-nitro-benzoate CAS Name: 2-(4-morpholinyl)-5-nitrobenzoic acid (4-methoxycarbonylphenyl)methyl ester IUPAC Name: (4-methoxycarbonylphenyl)methyl 2-morpholin-4-yl-5-nitrobenzoate Traditional Name: 2-morpholino-5-nitro-benzoic acid (4-carbomethoxybenzyl) ester Formula: C20H20N2O7 MolecularWeight: 400.382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O7/c1-27-19(23)15-4-2-14(3-5-15)13-29-20(24)17-12-16(22(25)26)6-7-18(17)21-8-10-28-11-9-21/h2-7,12H,8-11,13H2,1H3