[1-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl] 4-(dimethylamino)-3-nitro-benzoate

Systemtic Name: [1-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl] 4-(dimethylamino)-3-nitro-benzoate Openeye Name: [2-(1H-indol-3-yl)-1-methyl-2-oxo-ethyl] 4-(dimethylamino)-3-nitro-benzoate CAS Name: 4-(dimethylamino)-3-nitrobenzoic acid [1-(1H-indol-3-yl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1H-indol-3-yl)-1-oxopropan-2-yl] 4-(dimethylamino)-3-nitrobenzoate Traditional Name: 4-(dimethylamino)-3-nitro-benzoic acid [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=CC(=C(C=C3)N(C)C)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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