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

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl 4-morpholin-4-yl-3-nitro-benzoate Openeye Name: 2-(1,3-dioxoisoindolin-2-yl)ethyl 4-morpholino-3-nitro-benzoate CAS Name: 4-(4-morpholinyl)-3-nitrobenzoic acid 2-(1,3-dioxo-2-isoindolyl)ethyl ester IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)ethyl 4-morpholin-4-yl-3-nitrobenzoate Traditional Name: 4-morpholino-3-nitro-benzoic acid 2-phthalimidoethyl ester Formula: C21H19N3O7 MolecularWeight: 425.39146

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)C(=O)OCCN3C(=O)C4=CC=CC=C4C3=O)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)C(=O)OCCN3C(=O)C4=CC=CC=C4C3=O)[N+](=O)[O-]

InChI

InChI=1S/C21H19N3O7/c25-19-15-3-1-2-4-16(15)20(26)23(19)9-12-31-21(27)14-5-6-17(18(13-14)24(28)29)22-7-10-30-11-8-22/h1-6,13H,7-12H2