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

Systemtic Name: (4-ethyl-2-oxidanylidene-chromen-7-yl) 4-morpholin-4-yl-3-nitro-benzoate Openeye Name: (4-ethyl-2-oxo-chromen-7-yl) 4-morpholino-3-nitro-benzoate CAS Name: 4-(4-morpholinyl)-3-nitrobenzoic acid (4-ethyl-2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (4-ethyl-2-oxochromen-7-yl) 4-morpholin-4-yl-3-nitrobenzoate Traditional Name: 4-morpholino-3-nitro-benzoic acid (4-ethyl-2-keto-chromen-7-yl) ester Formula: C22H20N2O7 MolecularWeight: 424.4034

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=O)OC2=C1C=CC(=C2)OC(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC(=O)OC2=C1C=CC(=C2)OC(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C22H20N2O7/c1-2-14-12-21(25)31-20-13-16(4-5-17(14)20)30-22(26)15-3-6-18(19(11-15)24(27)28)23-7-9-29-10-8-23/h3-6,11-13H,2,7-10H2,1H3