[2-(2,3-dihydro-1H-inden-5-yl)-2-oxidanylidene-ethyl] 4-morpholin-4-yl-3-nitro-benzoate

Systemtic Name: [2-(2,3-dihydro-1H-inden-5-yl)-2-oxidanylidene-ethyl] 4-morpholin-4-yl-3-nitro-benzoate Openeye Name: (2-indan-5-yl-2-oxo-ethyl) 4-morpholino-3-nitro-benzoate CAS Name: 4-(4-morpholinyl)-3-nitrobenzoic acid [2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] ester IUPAC Name: [2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] 4-morpholin-4-yl-3-nitrobenzoate Traditional Name: 4-morpholino-3-nitro-benzoic acid (2-indan-5-yl-2-keto-ethyl) ester Formula: C22H22N2O6 MolecularWeight: 410.41988

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C(C=C2)C(=O)COC(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)C(=O)COC(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C22H22N2O6/c25-21(17-5-4-15-2-1-3-16(15)12-17)14-30-22(26)18-6-7-19(20(13-18)24(27)28)23-8-10-29-11-9-23/h4-7,12-13H,1-3,8-11,14H2