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

Systemtic Name: propyl 5-[(3-methyl-4-nitro-phenyl)carbonylamino]-2-morpholin-4-yl-benzoate Openeye Name: propyl 5-[(3-methyl-4-nitro-benzoyl)amino]-2-morpholino-benzoate CAS Name: 5-[[(3-methyl-4-nitrophenyl)-oxomethyl]amino]-2-(4-morpholinyl)benzoic acid propyl ester IUPAC Name: propyl 5-[(3-methyl-4-nitrobenzoyl)amino]-2-morpholin-4-ylbenzoate Traditional Name: 5-[(3-methyl-4-nitro-benzoyl)amino]-2-morpholino-benzoic acid propyl ester Formula: C22H25N3O6 MolecularWeight: 427.4504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O6/c1-3-10-31-22(27)18-14-17(5-7-20(18)24-8-11-30-12-9-24)23-21(26)16-4-6-19(25(28)29)15(2)13-16/h4-7,13-14H,3,8-12H2,1-2H3,(H,23,26)