(3-methoxycarbonylphenyl)methyl 4-morpholin-4-yl-3-nitro-benzoate

Systemtic Name: (3-methoxycarbonylphenyl)methyl 4-morpholin-4-yl-3-nitro-benzoate Openeye Name: (3-methoxycarbonylphenyl)methyl 4-morpholino-3-nitro-benzoate CAS Name: 4-(4-morpholinyl)-3-nitrobenzoic acid (3-methoxycarbonylphenyl)methyl ester IUPAC Name: (3-methoxycarbonylphenyl)methyl 4-morpholin-4-yl-3-nitrobenzoate Traditional Name: 4-morpholino-3-nitro-benzoic acid (3-carbomethoxybenzyl) ester Formula: C20H20N2O7 MolecularWeight: 400.382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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