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

Systemtic Name: [(2R)-1-(2,3-dihydroindol-1-yl)-1-oxidanylidene-propan-2-yl] 4-(2-methoxyethylamino)-3-nitro-benzoate Openeye Name: [(1R)-2-indolin-1-yl-1-methyl-2-oxo-ethyl] 4-(2-methoxyethylamino)-3-nitro-benzoate CAS Name: 4-(2-methoxyethylamino)-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-(2-methoxyethylamino)-3-nitrobenzoate Traditional Name: 4-(2-methoxyethylamino)-3-nitro-benzoic acid [(1R)-2-indolin-1-yl-2-keto-1-methyl-ethyl] ester Formula: C21H23N3O6 MolecularWeight: 413.42382

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC2=CC=CC=C21)OC(=O)C3=CC(=C(C=C3)NCCOC)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C(=O)N1CCC2=CC=CC=C21)OC(=O)C3=CC(=C(C=C3)NCCOC)[N+](=O)[O-]

InChI

InChI=1S/C21H23N3O6/c1-14(20(25)23-11-9-15-5-3-4-6-18(15)23)30-21(26)16-7-8-17(22-10-12-29-2)19(13-16)24(27)28/h3-8,13-14,22H,9-12H2,1-2H3/t14-/m1/s1