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

Systemtic Name: [1-(2,3-dihydroindol-1-yl)-1-oxidanylidene-propan-2-yl] 4-(dimethylamino)-3-nitro-benzoate Openeye Name: (2-indolin-1-yl-1-methyl-2-oxo-ethyl) 4-(dimethylamino)-3-nitro-benzoate CAS Name: 4-(dimethylamino)-3-nitrobenzoic acid [1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 4-(dimethylamino)-3-nitrobenzoate Traditional Name: 4-(dimethylamino)-3-nitro-benzoic acid (2-indolin-1-yl-2-keto-1-methyl-ethyl) ester Formula: C20H21N3O5 MolecularWeight: 383.39784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O5/c1-13(19(24)22-11-10-14-6-4-5-7-16(14)22)28-20(25)15-8-9-17(21(2)3)18(12-15)23(26)27/h4-9,12-13H,10-11H2,1-3H3