[1-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl] 5-morpholin-4-yl-2-nitro-benzoate

Systemtic Name: [1-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl] 5-morpholin-4-yl-2-nitro-benzoate Openeye Name: [2-(1H-indol-3-yl)-1-methyl-2-oxo-ethyl] 5-morpholino-2-nitro-benzoate CAS Name: 5-(4-morpholinyl)-2-nitrobenzoic acid [1-(1H-indol-3-yl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1H-indol-3-yl)-1-oxopropan-2-yl] 5-morpholin-4-yl-2-nitrobenzoate Traditional Name: 5-morpholino-2-nitro-benzoic acid [2-(1H-indol-3-yl)-2-keto-1-methyl-ethyl] ester Formula: C22H21N3O6 MolecularWeight: 423.41864

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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)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)C1=CNC2=CC=CC=C21)OC(=O)C3=C(C=CC(=C3)N4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C22H21N3O6/c1-14(21(26)18-13-23-19-5-3-2-4-16(18)19)31-22(27)17-12-15(6-7-20(17)25(28)29)24-8-10-30-11-9-24/h2-7,12-14,23H,8-11H2,1H3