[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxidanylidene-propan-2-yl] 4-ethoxy-3-nitro-benzoate

Systemtic Name: [(2R)-1-(2,3-dihydroindol-1-yl)-1-oxidanylidene-propan-2-yl] 4-ethoxy-3-nitro-benzoate Openeye Name: [(1R)-2-indolin-1-yl-1-methyl-2-oxo-ethyl] 4-ethoxy-3-nitro-benzoate CAS Name: 4-ethoxy-3-nitrobenzoic acid [(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 4-ethoxy-3-nitrobenzoate Traditional Name: 4-ethoxy-3-nitro-benzoic acid [(1R)-2-indolin-1-yl-2-keto-1-methyl-ethyl] ester Formula: C20H20N2O6 MolecularWeight: 384.3826

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)OC(C)C(=O)N2CCC3=CC=CC=C32)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)O[C@H](C)C(=O)N2CCC3=CC=CC=C32)[N+](=O)[O-]

InChI

InChI=1S/C20H20N2O6/c1-3-27-18-9-8-15(12-17(18)22(25)26)20(24)28-13(2)19(23)21-11-10-14-6-4-5-7-16(14)21/h4-9,12-13H,3,10-11H2,1-2H3/t13-/m1/s1