(2,6-dimethyl-4-nitro-phenyl) 3-(3-cyanopropoxy)acridine-9-carboxylate

Systemtic Name: (2,6-dimethyl-4-nitro-phenyl) 3-(3-cyanopropoxy)acridine-9-carboxylate Openeye Name: (2,6-dimethyl-4-nitro-phenyl) 3-(3-cyanopropoxy)acridine-9-carboxylate CAS Name: 3-(3-cyanopropoxy)-9-acridinecarboxylic acid (2,6-dimethyl-4-nitrophenyl) ester IUPAC Name: (2,6-dimethyl-4-nitrophenyl) 3-(3-cyanopropoxy)acridine-9-carboxylate Traditional Name: 3-(3-cyanopropoxy)acridine-9-carboxylic acid (2,6-dimethyl-4-nitro-phenyl) ester Formula: C26H21N3O5 MolecularWeight: 455.46204

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H21N3O5/c1-16-13-18(29(31)32)14-17(2)25(16)34-26(30)24-20-7-3-4-8-22(20)28-23-15-19(9-10-21(23)24)33-12-6-5-11-27/h3-4,7-10,13-15H,5-6,12H2,1-2H3