[2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl] 5-morpholin-4-yl-2-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl] 5-morpholin-4-yl-2-nitro-benzoate Openeye Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 5-morpholino-2-nitro-benzoate CAS Name: 5-(4-morpholinyl)-2-nitrobenzoic acid [2-oxo-2-(1H-pyrrol-2-yl)ethyl] ester IUPAC Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 5-morpholin-4-yl-2-nitrobenzoate Traditional Name: 5-morpholino-2-nitro-benzoic acid [2-keto-2-(1H-pyrrol-2-yl)ethyl] ester Formula: C17H17N3O6 MolecularWeight: 359.33338

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC(=C(C=C2)[N+](=O)[O-])C(=O)OCC(=O)C3=CC=CN3

Isomeric SMILES

C1COCCN1C2=CC(=C(C=C2)[N+](=O)[O-])C(=O)OCC(=O)C3=CC=CN3

InChI

InChI=1S/C17H17N3O6/c21-16(14-2-1-5-18-14)11-26-17(22)13-10-12(3-4-15(13)20(23)24)19-6-8-25-9-7-19/h1-5,10,18H,6-9,11H2