methyl 2-[methyl-(4-morpholin-4-yl-3-nitro-phenyl)carbonyl-amino]benzoate

Systemtic Name: methyl 2-[methyl-(4-morpholin-4-yl-3-nitro-phenyl)carbonyl-amino]benzoate Openeye Name: methyl 2-[methyl-(4-morpholino-3-nitro-benzoyl)amino]benzoate CAS Name: 2-[methyl-[[4-(4-morpholinyl)-3-nitrophenyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[methyl-(4-morpholin-4-yl-3-nitrobenzoyl)amino]benzoate Traditional Name: 2-[methyl-(4-morpholino-3-nitro-benzoyl)amino]benzoic acid methyl ester Formula: C20H21N3O6 MolecularWeight: 399.39724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1C(=O)OC)C(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CN(C1=CC=CC=C1C(=O)OC)C(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O6/c1-21(16-6-4-3-5-15(16)20(25)28-2)19(24)14-7-8-17(18(13-14)23(26)27)22-9-11-29-12-10-22/h3-8,13H,9-12H2,1-2H3