(1,7-dimethyl-3-oxidanylidene-1,2-dihydroinden-4-yl) 4-morpholin-4-yl-3-nitro-benzoate

Systemtic Name: (1,7-dimethyl-3-oxidanylidene-1,2-dihydroinden-4-yl) 4-morpholin-4-yl-3-nitro-benzoate Openeye Name: (1,7-dimethyl-3-oxo-indan-4-yl) 4-morpholino-3-nitro-benzoate CAS Name: 4-(4-morpholinyl)-3-nitrobenzoic acid (1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl) ester IUPAC Name: (1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl) 4-morpholin-4-yl-3-nitrobenzoate Traditional Name: 4-morpholino-3-nitro-benzoic acid (3-keto-1,7-dimethyl-indan-4-yl) ester Formula: C22H22N2O6 MolecularWeight: 410.41988

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)C2=C(C=CC(=C12)C)OC(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

CC1CC(=O)C2=C(C=CC(=C12)C)OC(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C22H22N2O6/c1-13-3-6-19(21-18(25)11-14(2)20(13)21)30-22(26)15-4-5-16(17(12-15)24(27)28)23-7-9-29-10-8-23/h3-6,12,14H,7-11H2,1-2H3