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

Systemtic Name: [(2R)-1-(2,3-dihydro-1H-inden-5-yl)-1-oxidanylidene-propan-2-yl] 4-(2-methoxyethylamino)-3-nitro-benzoate Openeye Name: [(1R)-2-indan-5-yl-1-methyl-2-oxo-ethyl] 4-(2-methoxyethylamino)-3-nitro-benzoate CAS Name: 4-(2-methoxyethylamino)-3-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] 4-(2-methoxyethylamino)-3-nitrobenzoate Traditional Name: 4-(2-methoxyethylamino)-3-nitro-benzoic acid [(1R)-2-indan-5-yl-2-keto-1-methyl-ethyl] ester Formula: C22H24N2O6 MolecularWeight: 412.43576

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC2=C(CCC2)C=C1)OC(=O)C3=CC(=C(C=C3)NCCOC)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C(=O)C1=CC2=C(CCC2)C=C1)OC(=O)C3=CC(=C(C=C3)NCCOC)[N+](=O)[O-]

InChI

InChI=1S/C22H24N2O6/c1-14(21(25)17-7-6-15-4-3-5-16(15)12-17)30-22(26)18-8-9-19(23-10-11-29-2)20(13-18)24(27)28/h6-9,12-14,23H,3-5,10-11H2,1-2H3/t14-/m1/s1