(2,6-dimethyl-4-nitro-phenyl) 3-(4-oxidanylidene-4-phenylmethoxy-butoxy)acridine-9-carboxylate

Systemtic Name: (2,6-dimethyl-4-nitro-phenyl) 3-(4-oxidanylidene-4-phenylmethoxy-butoxy)acridine-9-carboxylate Openeye Name: (2,6-dimethyl-4-nitro-phenyl) 3-(4-benzyloxy-4-oxo-butoxy)acridine-9-carboxylate CAS Name: 3-(4-oxo-4-phenylmethoxybutoxy)-9-acridinecarboxylic acid (2,6-dimethyl-4-nitrophenyl) ester IUPAC Name: (2,6-dimethyl-4-nitrophenyl) 3-(4-oxo-4-phenylmethoxybutoxy)acridine-9-carboxylate Traditional Name: 3-(4-benzoxy-4-keto-butoxy)acridine-9-carboxylic acid (2,6-dimethyl-4-nitro-phenyl) ester Formula: C33H28N2O7 MolecularWeight: 564.58462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC(=O)C2=C3C=CC(=CC3=NC4=CC=CC=C42)OCCCC(=O)OCC5=CC=CC=C5)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1OC(=O)C2=C3C=CC(=CC3=NC4=CC=CC=C42)OCCCC(=O)OCC5=CC=CC=C5)C)[N+](=O)[O-]

InChI

InChI=1S/C33H28N2O7/c1-21-17-24(35(38)39)18-22(2)32(21)42-33(37)31-26-11-6-7-12-28(26)34-29-19-25(14-15-27(29)31)40-16-8-13-30(36)41-20-23-9-4-3-5-10-23/h3-7,9-12,14-15,17-19H,8,13,16,20H2,1-2H3