(2-morpholin-4-yl-2-oxidanylidene-ethyl) 3-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]propanoate

Systemtic Name: (2-morpholin-4-yl-2-oxidanylidene-ethyl) 3-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]propanoate Openeye Name: (2-morpholino-2-oxo-ethyl) 3-(4-nitro-1,3-dioxo-isoindolin-2-yl)propanoate CAS Name: 3-(4-nitro-1,3-dioxo-2-isoindolyl)propanoic acid [2-(4-morpholinyl)-2-oxoethyl] ester IUPAC Name: (2-morpholin-4-yl-2-oxoethyl) 3-(4-nitro-1,3-dioxoisoindol-2-yl)propanoate Traditional Name: 3-(1,3-diketo-4-nitro-isoindolin-2-yl)propionic acid (2-keto-2-morpholino-ethyl) ester Formula: C17H17N3O8 MolecularWeight: 391.33218

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)COC(=O)CCN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C(=O)COC(=O)CCN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H17N3O8/c21-13(18-6-8-27-9-7-18)10-28-14(22)4-5-19-16(23)11-2-1-3-12(20(25)26)15(11)17(19)24/h1-3H,4-10H2