[(2R)-1-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl] 2-(dimethylamino)-5-nitro-benzoate

Systemtic Name: [(2R)-1-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl] 2-(dimethylamino)-5-nitro-benzoate Openeye Name: [(1R)-2-(1H-indol-3-yl)-1-methyl-2-oxo-ethyl] 2-(dimethylamino)-5-nitro-benzoate CAS Name: 2-(dimethylamino)-5-nitrobenzoic acid [(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-(dimethylamino)-5-nitrobenzoate Traditional Name: 2-(dimethylamino)-5-nitro-benzoic acid [(1R)-2-(1H-indol-3-yl)-2-keto-1-methyl-ethyl] ester Formula: C20H19N3O5 MolecularWeight: 381.38196

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CNC2=CC=CC=C21)OC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N(C)C

Isomeric SMILES

C[C@H](C(=O)C1=CNC2=CC=CC=C21)OC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N(C)C

InChI

InChI=1S/C20H19N3O5/c1-12(19(24)16-11-21-17-7-5-4-6-14(16)17)28-20(25)15-10-13(23(26)27)8-9-18(15)22(2)3/h4-12,21H,1-3H3/t12-/m1/s1