(7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 4-morpholin-4-yl-3-nitro-benzoate

Systemtic Name: (7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 4-morpholin-4-yl-3-nitro-benzoate Openeye Name: (7-hydroxy-2-oxo-chromen-4-yl)methyl 4-morpholino-3-nitro-benzoate CAS Name: 4-(4-morpholinyl)-3-nitrobenzoic acid (7-hydroxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-hydroxy-2-oxochromen-4-yl)methyl 4-morpholin-4-yl-3-nitrobenzoate Traditional Name: 4-morpholino-3-nitro-benzoic acid (7-hydroxy-2-keto-chromen-4-yl)methyl ester Formula: C21H18N2O8 MolecularWeight: 426.37622

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)C(=O)OCC3=CC(=O)OC4=C3C=CC(=C4)O)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)C(=O)OCC3=CC(=O)OC4=C3C=CC(=C4)O)[N+](=O)[O-]

InChI

InChI=1S/C21H18N2O8/c24-15-2-3-16-14(10-20(25)31-19(16)11-15)12-30-21(26)13-1-4-17(18(9-13)23(27)28)22-5-7-29-8-6-22/h1-4,9-11,24H,5-8,12H2