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

Systemtic Name: (4-methyl-2-oxidanylidene-chromen-7-yl) 4-morpholin-4-yl-3-nitro-benzoate Openeye Name: (4-methyl-2-oxo-chromen-7-yl) 4-morpholino-3-nitro-benzoate CAS Name: 4-(4-morpholinyl)-3-nitrobenzoic acid (4-methyl-2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (4-methyl-2-oxochromen-7-yl) 4-morpholin-4-yl-3-nitrobenzoate Traditional Name: 4-morpholino-3-nitro-benzoic acid (2-keto-4-methyl-chromen-7-yl) ester Formula: C21H18N2O7 MolecularWeight: 410.37682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)OC(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)OC(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C21H18N2O7/c1-13-10-20(24)30-19-12-15(3-4-16(13)19)29-21(25)14-2-5-17(18(11-14)23(26)27)22-6-8-28-9-7-22/h2-5,10-12H,6-9H2,1H3