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

Systemtic Name: 4-[1,3-bis(oxidanylidene)isoindol-2-yl]butyl 2-morpholin-4-yl-5-nitro-benzoate Openeye Name: 4-(1,3-dioxoisoindolin-2-yl)butyl 2-morpholino-5-nitro-benzoate CAS Name: 2-(4-morpholinyl)-5-nitrobenzoic acid 4-(1,3-dioxo-2-isoindolyl)butyl ester IUPAC Name: 4-(1,3-dioxoisoindol-2-yl)butyl 2-morpholin-4-yl-5-nitrobenzoate Traditional Name: 2-morpholino-5-nitro-benzoic acid 4-phthalimidobutyl ester Formula: C23H23N3O7 MolecularWeight: 453.44462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCCCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCCCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C23H23N3O7/c27-21-17-5-1-2-6-18(17)22(28)25(21)9-3-4-12-33-23(29)19-15-16(26(30)31)7-8-20(19)24-10-13-32-14-11-24/h1-2,5-8,15H,3-4,9-14H2