2,3-dihydro-1H-inden-5-yl 4-morpholin-4-yl-3-nitro-benzoate

Systemtic Name: 2,3-dihydro-1H-inden-5-yl 4-morpholin-4-yl-3-nitro-benzoate Openeye Name: indan-5-yl 4-morpholino-3-nitro-benzoate CAS Name: 4-(4-morpholinyl)-3-nitrobenzoic acid 2,3-dihydro-1H-inden-5-yl ester IUPAC Name: 2,3-dihydro-1H-inden-5-yl 4-morpholin-4-yl-3-nitrobenzoate Traditional Name: 4-morpholino-3-nitro-benzoic acid indan-5-yl ester Formula: C20H20N2O5 MolecularWeight: 368.3832

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O5/c23-20(27-17-6-4-14-2-1-3-15(14)12-17)16-5-7-18(19(13-16)22(24)25)21-8-10-26-11-9-21/h4-7,12-13H,1-3,8-11H2