(3,3-dimethyl-2-oxidanylidene-butyl) 4-[(3-nitrophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 4-[(3-nitrophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 4-[(3-nitrophenyl)methylene]-2,3-dihydro-1H-acridine-9-carboxylate CAS Name: 4-[(3-nitrophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 4-[(3-nitrophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate Traditional Name: 4-(3-nitrobenzylidene)-2,3-dihydro-1H-acridine-9-carboxylic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C27H26N2O5 MolecularWeight: 458.50574

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C1=C2CCCC(=CC3=CC(=CC=C3)[N+](=O)[O-])C2=NC4=CC=CC=C41

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C1=C2CCCC(=CC3=CC(=CC=C3)[N+](=O)[O-])C2=NC4=CC=CC=C41

InChI

InChI=1S/C27H26N2O5/c1-27(2,3)23(30)16-34-26(31)24-20-11-4-5-13-22(20)28-25-18(9-7-12-21(24)25)14-17-8-6-10-19(15-17)29(32)33/h4-6,8,10-11,13-15H,7,9,12,16H2,1-3H3