(3,3-dimethyl-2-oxidanylidene-butyl) 2-chloranylquinoline-4-carboxylate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-chloranylquinoline-4-carboxylate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-chloroquinoline-4-carboxylate CAS Name: 2-chloro-4-quinolinecarboxylic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-chloroquinoline-4-carboxylate Traditional Name: 2-chlorocinchoninic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C16H16ClNO3 MolecularWeight: 305.75614

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C1=CC(=NC2=CC=CC=C21)Cl

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C1=CC(=NC2=CC=CC=C21)Cl

InChI

InChI=1S/C16H16ClNO3/c1-16(2,3)13(19)9-21-15(20)11-8-14(17)18-12-7-5-4-6-10(11)12/h4-8H,9H2,1-3H3