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

Systemtic Name: [1-(2,3-dihydro-1H-inden-5-yl)-1-oxidanylidene-propan-2-yl] 4-ethoxy-3-nitro-benzoate Openeye Name: (2-indan-5-yl-1-methyl-2-oxo-ethyl) 4-ethoxy-3-nitro-benzoate CAS Name: 4-ethoxy-3-nitrobenzoic acid [1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 4-ethoxy-3-nitrobenzoate Traditional Name: 4-ethoxy-3-nitro-benzoic acid (2-indan-5-yl-2-keto-1-methyl-ethyl) ester Formula: C21H21NO6 MolecularWeight: 383.39454

Click to see the large picture

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-]

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO6/c1-3-27-19-10-9-17(12-18(19)22(25)26)21(24)28-13(2)20(23)16-8-7-14-5-4-6-15(14)11-16/h7-13H,3-6H2,1-2H3