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

Systemtic Name: propyl 5-[(4-chloranyl-3-nitro-phenyl)carbonylamino]-2-morpholin-4-yl-benzoate Openeye Name: propyl 5-[(4-chloro-3-nitro-benzoyl)amino]-2-morpholino-benzoate CAS Name: 5-[[(4-chloro-3-nitrophenyl)-oxomethyl]amino]-2-(4-morpholinyl)benzoic acid propyl ester IUPAC Name: propyl 5-[(4-chloro-3-nitrobenzoyl)amino]-2-morpholin-4-ylbenzoate Traditional Name: 5-[(4-chloro-3-nitro-benzoyl)amino]-2-morpholino-benzoic acid propyl ester Formula: C21H22ClN3O6 MolecularWeight: 447.86888

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClN3O6/c1-2-9-31-21(27)16-13-15(4-6-18(16)24-7-10-30-11-8-24)23-20(26)14-3-5-17(22)19(12-14)25(28)29/h3-6,12-13H,2,7-11H2,1H3,(H,23,26)