methyl 4-[[(4-morpholin-4-yl-3-nitro-phenyl)carbonylamino]methyl]benzoate

Systemtic Name: methyl 4-[[(4-morpholin-4-yl-3-nitro-phenyl)carbonylamino]methyl]benzoate Openeye Name: methyl 4-[[(4-morpholino-3-nitro-benzoyl)amino]methyl]benzoate CAS Name: 4-[[[[4-(4-morpholinyl)-3-nitrophenyl]-oxomethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(4-morpholin-4-yl-3-nitrobenzoyl)amino]methyl]benzoate Traditional Name: 4-[[(4-morpholino-3-nitro-benzoyl)amino]methyl]benzoic acid methyl ester Formula: C20H21N3O6 MolecularWeight: 399.39724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O6/c1-28-20(25)15-4-2-14(3-5-15)13-21-19(24)16-6-7-17(18(12-16)23(26)27)22-8-10-29-11-9-22/h2-7,12H,8-11,13H2,1H3,(H,21,24)