(4E)-4-[(4-morpholin-4-yl-3-nitro-phenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid

Systemtic Name: (4E)-4-[(4-morpholin-4-yl-3-nitro-phenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid Openeye Name: (4E)-4-[(4-morpholino-3-nitro-phenyl)methylene]-2,3-dihydro-1H-acridine-9-carboxylic acid CAS Name: (4E)-4-[[4-(4-morpholinyl)-3-nitrophenyl]methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid IUPAC Name: (4E)-4-[(4-morpholin-4-yl-3-nitrophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid Traditional Name: (4E)-4-(4-morpholino-3-nitro-benzylidene)-2,3-dihydro-1H-acridine-9-carboxylic acid Formula: C25H23N3O5 MolecularWeight: 445.46722

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=CC2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-])C4=NC5=CC=CC=C5C(=C4C1)C(=O)O

Isomeric SMILES

C1C/C(=C\C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-])/C4=NC5=CC=CC=C5C(=C4C1)C(=O)O

InChI

InChI=1S/C25H23N3O5/c29-25(30)23-18-5-1-2-7-20(18)26-24-17(4-3-6-19(23)24)14-16-8-9-21(22(15-16)28(31)32)27-10-12-33-13-11-27/h1-2,5,7-9,14-15H,3-4,6,10-13H2,(H,29,30)/b17-14+