(3-chlorophenyl)methyl (4E)-4-[(4-nitrophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate

Systemtic Name: (3-chlorophenyl)methyl (4E)-4-[(4-nitrophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate Openeye Name: (3-chlorophenyl)methyl (4E)-4-[(4-nitrophenyl)methylene]-2,3-dihydro-1H-acridine-9-carboxylate CAS Name: (4E)-4-[(4-nitrophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid (3-chlorophenyl)methyl ester IUPAC Name: (3-chlorophenyl)methyl (4E)-4-[(4-nitrophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate Traditional Name: (4E)-4-(4-nitrobenzylidene)-2,3-dihydro-1H-acridine-9-carboxylic acid (3-chlorobenzyl) ester Formula: C28H21ClN2O4 MolecularWeight: 484.93034

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=CC2=CC=C(C=C2)[N+](=O)[O-])C3=NC4=CC=CC=C4C(=C3C1)C(=O)OCC5=CC(=CC=C5)Cl

Isomeric SMILES

C1C/C(=C\C2=CC=C(C=C2)[N+](=O)[O-])/C3=NC4=CC=CC=C4C(=C3C1)C(=O)OCC5=CC(=CC=C5)Cl

InChI

InChI=1S/C28H21ClN2O4/c29-21-7-3-5-19(16-21)17-35-28(32)26-23-8-1-2-10-25(23)30-27-20(6-4-9-24(26)27)15-18-11-13-22(14-12-18)31(33)34/h1-3,5,7-8,10-16H,4,6,9,17H2/b20-15+