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

Systemtic Name: (7-methyl-2-oxidanylidene-chromen-4-yl)methyl 2-morpholin-4-yl-5-nitro-benzoate Openeye Name: (7-methyl-2-oxo-chromen-4-yl)methyl 2-morpholino-5-nitro-benzoate CAS Name: 2-(4-morpholinyl)-5-nitrobenzoic acid (7-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methyl-2-oxochromen-4-yl)methyl 2-morpholin-4-yl-5-nitrobenzoate Traditional Name: 2-morpholino-5-nitro-benzoic acid (2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C22H20N2O7 MolecularWeight: 424.4034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCOCC4

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCOCC4

InChI

InChI=1S/C22H20N2O7/c1-14-2-4-17-15(11-21(25)31-20(17)10-14)13-30-22(26)18-12-16(24(27)28)3-5-19(18)23-6-8-29-9-7-23/h2-5,10-12H,6-9,13H2,1H3