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

Systemtic Name: propyl 5-[(2-methyl-3-nitro-phenyl)carbonylamino]-2-morpholin-4-yl-benzoate Openeye Name: propyl 5-[(2-methyl-3-nitro-benzoyl)amino]-2-morpholino-benzoate CAS Name: 5-[[(2-methyl-3-nitrophenyl)-oxomethyl]amino]-2-(4-morpholinyl)benzoic acid propyl ester IUPAC Name: propyl 5-[(2-methyl-3-nitrobenzoyl)amino]-2-morpholin-4-ylbenzoate Traditional Name: 5-[(2-methyl-3-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=C(C(=CC=C2)[N+](=O)[O-])C)N3CCOCC3

Isomeric SMILES

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

InChI

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