(3,3-dimethyl-2-oxidanylidene-butyl) 2-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-1H-quinoline-4-carboxylate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-1H-quinoline-4-carboxylate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-(4-oxocyclohexa-2,5-dien-1-ylidene)-1H-quinoline-4-carboxylate CAS Name: 2-(4-oxo-1-cyclohexa-2,5-dienylidene)-1H-quinoline-4-carboxylic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-(4-oxocyclohexa-2,5-dien-1-ylidene)-1H-quinoline-4-carboxylate Traditional Name: 2-(4-ketocyclohexa-2,5-dien-1-ylidene)-1H-quinoline-4-carboxylic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C22H21NO4 MolecularWeight: 363.40644

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C1=CC(=C2C=CC(=O)C=C2)NC3=CC=CC=C31

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C1=CC(=C2C=CC(=O)C=C2)NC3=CC=CC=C31

InChI

InChI=1S/C22H21NO4/c1-22(2,3)20(25)13-27-21(26)17-12-19(14-8-10-15(24)11-9-14)23-18-7-5-4-6-16(17)18/h4-12,23H,13H2,1-3H3