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

Systemtic Name: [2-(1H-indol-3-yl)-2-oxidanylidene-ethyl] 4-morpholin-4-yl-3-nitro-benzoate Openeye Name: [2-(1H-indol-3-yl)-2-oxo-ethyl] 4-morpholino-3-nitro-benzoate CAS Name: 4-(4-morpholinyl)-3-nitrobenzoic acid [2-(1H-indol-3-yl)-2-oxoethyl] ester IUPAC Name: [2-(1H-indol-3-yl)-2-oxoethyl] 4-morpholin-4-yl-3-nitrobenzoate Traditional Name: 4-morpholino-3-nitro-benzoic acid [2-(1H-indol-3-yl)-2-keto-ethyl] ester Formula: C21H19N3O6 MolecularWeight: 409.39206

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)C(=O)OCC(=O)C3=CNC4=CC=CC=C43)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)C(=O)OCC(=O)C3=CNC4=CC=CC=C43)[N+](=O)[O-]

InChI

InChI=1S/C21H19N3O6/c25-20(16-12-22-17-4-2-1-3-15(16)17)13-30-21(26)14-5-6-18(19(11-14)24(27)28)23-7-9-29-10-8-23/h1-6,11-12,22H,7-10,13H2