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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NC2=CC(=C(C=C2)N3CCOCC3)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NC2=CC(=C(C=C2)N3CCOCC3)C(=O)OC)[N+](=O)[O-]

InChI

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