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

Systemtic Name: methyl 3-[(5-morpholin-4-yl-4-nitro-2,1,3-benzoxadiazol-7-yl)-phenyl-amino]propanoate Openeye Name: methyl 3-(N-(5-morpholino-4-nitro-2,1,3-benzoxadiazol-7-yl)anilino)propanoate CAS Name: 3-(N-[5-(4-morpholinyl)-4-nitro-2,1,3-benzoxadiazol-7-yl]anilino)propanoic acid methyl ester IUPAC Name: methyl 3-(N-(5-morpholin-4-yl-4-nitro-2,1,3-benzoxadiazol-7-yl)anilino)propanoate Traditional Name: 3-(N-(6-morpholino-7-nitro-benzofurazan-4-yl)anilino)propionic acid methyl ester Formula: C20H21N5O6 MolecularWeight: 427.41064

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCN(C1=CC=CC=C1)C2=CC(=C(C3=NON=C23)[N+](=O)[O-])N4CCOCC4

Isomeric SMILES

COC(=O)CCN(C1=CC=CC=C1)C2=CC(=C(C3=NON=C23)[N+](=O)[O-])N4CCOCC4

InChI

InChI=1S/C20H21N5O6/c1-29-17(26)7-8-24(14-5-3-2-4-6-14)15-13-16(23-9-11-30-12-10-23)20(25(27)28)19-18(15)21-31-22-19/h2-6,13H,7-12H2,1H3