methyl 2-[methyl-(5-morpholin-4-yl-4-nitro-2,1,3-benzoxadiazol-7-yl)amino]benzoate

Systemtic Name: methyl 2-[methyl-(5-morpholin-4-yl-4-nitro-2,1,3-benzoxadiazol-7-yl)amino]benzoate Openeye Name: methyl 2-[methyl-(5-morpholino-4-nitro-2,1,3-benzoxadiazol-7-yl)amino]benzoate CAS Name: 2-[methyl-[5-(4-morpholinyl)-4-nitro-2,1,3-benzoxadiazol-7-yl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[methyl-(5-morpholin-4-yl-4-nitro-2,1,3-benzoxadiazol-7-yl)amino]benzoate Traditional Name: 2-[methyl-(6-morpholino-7-nitro-benzofurazan-4-yl)amino]benzoic acid methyl ester Formula: C19H19N5O6 MolecularWeight: 413.38406

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1C(=O)OC)C2=CC(=C(C3=NON=C23)[N+](=O)[O-])N4CCOCC4

Isomeric SMILES

CN(C1=CC=CC=C1C(=O)OC)C2=CC(=C(C3=NON=C23)[N+](=O)[O-])N4CCOCC4

InChI

InChI=1S/C19H19N5O6/c1-22(13-6-4-3-5-12(13)19(25)28-2)14-11-15(23-7-9-29-10-8-23)18(24(26)27)17-16(14)20-30-21-17/h3-6,11H,7-10H2,1-2H3