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

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

Isomeric SMILES

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

InChI

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