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

Systemtic Name: methyl 4-chloranyl-3-[(2-morpholin-4-yl-5-nitro-phenyl)carbonylamino]benzoate Openeye Name: methyl 4-chloro-3-[(2-morpholino-5-nitro-benzoyl)amino]benzoate CAS Name: 4-chloro-3-[[[2-(4-morpholinyl)-5-nitrophenyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-3-[(2-morpholin-4-yl-5-nitrobenzoyl)amino]benzoate Traditional Name: 4-chloro-3-[(2-morpholino-5-nitro-benzoyl)amino]benzoic acid methyl ester Formula: C19H18ClN3O6 MolecularWeight: 419.81572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18ClN3O6/c1-28-19(25)12-2-4-15(20)16(10-12)21-18(24)14-11-13(23(26)27)3-5-17(14)22-6-8-29-9-7-22/h2-5,10-11H,6-9H2,1H3,(H,21,24)