methyl 4-methyl-3-[(2-morpholin-4-yl-5-nitro-phenyl)carbonylamino]benzoate

Systemtic Name: methyl 4-methyl-3-[(2-morpholin-4-yl-5-nitro-phenyl)carbonylamino]benzoate Openeye Name: methyl 4-methyl-3-[(2-morpholino-5-nitro-benzoyl)amino]benzoate CAS Name: 4-methyl-3-[[[2-(4-morpholinyl)-5-nitrophenyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-methyl-3-[(2-morpholin-4-yl-5-nitrobenzoyl)amino]benzoate Traditional Name: 4-methyl-3-[(2-morpholino-5-nitro-benzoyl)amino]benzoic acid methyl ester Formula: C20H21N3O6 MolecularWeight: 399.39724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3

InChI

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