(7-methoxy-2-oxidanylidene-chromen-4-yl)methyl 2-morpholin-4-yl-5-nitro-benzoate

Systemtic Name: (7-methoxy-2-oxidanylidene-chromen-4-yl)methyl 2-morpholin-4-yl-5-nitro-benzoate Openeye Name: (7-methoxy-2-oxo-chromen-4-yl)methyl 2-morpholino-5-nitro-benzoate CAS Name: 2-(4-morpholinyl)-5-nitrobenzoic acid (7-methoxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methoxy-2-oxochromen-4-yl)methyl 2-morpholin-4-yl-5-nitrobenzoate Traditional Name: 2-morpholino-5-nitro-benzoic acid (2-keto-7-methoxy-chromen-4-yl)methyl ester Formula: C22H20N2O8 MolecularWeight: 440.4028

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCOCC4

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCOCC4

InChI

InChI=1S/C22H20N2O8/c1-29-16-3-4-17-14(10-21(25)32-20(17)12-16)13-31-22(26)18-11-15(24(27)28)2-5-19(18)23-6-8-30-9-7-23/h2-5,10-12H,6-9,13H2,1H3