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

Systemtic Name: 1,3-benzothiazol-2-ylmethyl (4E)-4-[(3-nitrophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate Openeye Name: 1,3-benzothiazol-2-ylmethyl (4E)-4-[(3-nitrophenyl)methylene]-2,3-dihydro-1H-acridine-9-carboxylate CAS Name: (4E)-4-[(3-nitrophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl (4E)-4-[(3-nitrophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate Traditional Name: (4E)-4-(3-nitrobenzylidene)-2,3-dihydro-1H-acridine-9-carboxylic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C29H21N3O4S MolecularWeight: 507.55974

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=CC2=CC(=CC=C2)[N+](=O)[O-])C3=NC4=CC=CC=C4C(=C3C1)C(=O)OCC5=NC6=CC=CC=C6S5

Isomeric SMILES

C1C/C(=C\C2=CC(=CC=C2)[N+](=O)[O-])/C3=NC4=CC=CC=C4C(=C3C1)C(=O)OCC5=NC6=CC=CC=C6S5

InChI

InChI=1S/C29H21N3O4S/c33-29(36-17-26-30-24-13-3-4-14-25(24)37-26)27-21-10-1-2-12-23(21)31-28-19(8-6-11-22(27)28)15-18-7-5-9-20(16-18)32(34)35/h1-5,7,9-10,12-16H,6,8,11,17H2/b19-15+