[(2R)-1-(2,3-dihydro-1H-inden-5-yl)-1-oxidanylidene-propan-2-yl] 5-ethoxy-4-methoxy-2-nitro-benzoate

Systemtic Name: [(2R)-1-(2,3-dihydro-1H-inden-5-yl)-1-oxidanylidene-propan-2-yl] 5-ethoxy-4-methoxy-2-nitro-benzoate Openeye Name: [(1R)-2-indan-5-yl-1-methyl-2-oxo-ethyl] 5-ethoxy-4-methoxy-2-nitro-benzoate CAS Name: 5-ethoxy-4-methoxy-2-nitrobenzoic acid [(2R)-1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 5-ethoxy-4-methoxy-2-nitrobenzoate Traditional Name: 5-ethoxy-4-methoxy-2-nitro-benzoic acid [(1R)-2-indan-5-yl-2-keto-1-methyl-ethyl] ester Formula: C22H23NO7 MolecularWeight: 413.42052

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)C(=O)OC(C)C(=O)C2=CC3=C(CCC3)C=C2)[N+](=O)[O-])OC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)C(=O)O[C@H](C)C(=O)C2=CC3=C(CCC3)C=C2)[N+](=O)[O-])OC

InChI

InChI=1S/C22H23NO7/c1-4-29-20-11-17(18(23(26)27)12-19(20)28-3)22(25)30-13(2)21(24)16-9-8-14-6-5-7-15(14)10-16/h8-13H,4-7H2,1-3H3/t13-/m1/s1