2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl 2-morpholin-4-yl-5-nitro-benzoate

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl 2-morpholin-4-yl-5-nitro-benzoate Openeye Name: 2-(1,3-dioxoisoindolin-2-yl)ethyl 2-morpholino-5-nitro-benzoate CAS Name: 2-(4-morpholinyl)-5-nitrobenzoic acid 2-(1,3-dioxo-2-isoindolyl)ethyl ester IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)ethyl 2-morpholin-4-yl-5-nitrobenzoate Traditional Name: 2-morpholino-5-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)[N+](=O)[O-])C(=O)OCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

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

InChI

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