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

Systemtic Name: methyl 4-methyl-3-[(4-morpholin-4-yl-3-nitro-phenyl)carbonylamino]benzoate Openeye Name: methyl 4-methyl-3-[(4-morpholino-3-nitro-benzoyl)amino]benzoate CAS Name: 4-methyl-3-[[[4-(4-morpholinyl)-3-nitrophenyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-methyl-3-[(4-morpholin-4-yl-3-nitrobenzoyl)amino]benzoate Traditional Name: 4-methyl-3-[(4-morpholino-3-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=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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