(4E)-4-[(3-methoxy-5-nitro-4-oxidanidyl-phenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate

Systemtic Name: (4E)-4-[(3-methoxy-5-nitro-4-oxidanidyl-phenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate Openeye Name: (4E)-4-[(3-methoxy-5-nitro-4-oxido-phenyl)methylene]-2,3-dihydro-1H-acridine-9-carboxylate CAS Name: (4E)-4-[(3-methoxy-5-nitro-4-oxidophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate IUPAC Name: (4E)-4-[(3-methoxy-5-nitro-4-oxidophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate Traditional Name: (4E)-4-(3-methoxy-5-nitro-4-oxido-benzylidene)-2,3-dihydro-1H-acridine-9-carboxylate Formula: C22H16N2O6-2 MolecularWeight: 404.37224

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1[O-])[N+](=O)[O-])C=C2CCCC3=C(C4=CC=CC=C4N=C23)C(=O)[O-]

Isomeric SMILES

COC1=CC(=CC(=C1[O-])[N+](=O)[O-])/C=C/2\CCCC3=C(C4=CC=CC=C4N=C23)C(=O)[O-]

InChI

InChI=1S/C22H18N2O6/c1-30-18-11-12(10-17(21(18)25)24(28)29)9-13-5-4-7-15-19(22(26)27)14-6-2-3-8-16(14)23-20(13)15/h2-3,6,8-11,25H,4-5,7H2,1H3,(H,26,27)/p-2/b13-9+