3,3-dimethyl-4-(4-oxidanylidene-1H-quinazolin-2-yl)butanoate

Systemtic Name: 3,3-dimethyl-4-(4-oxidanylidene-1H-quinazolin-2-yl)butanoate Openeye Name: 3,3-dimethyl-4-(4-oxo-1H-quinazolin-2-yl)butanoate CAS Name: 3,3-dimethyl-4-(4-oxo-1H-quinazolin-2-yl)butanoate IUPAC Name: 3,3-dimethyl-4-(4-oxo-1H-quinazolin-2-yl)butanoate Traditional Name: 4-(4-keto-1H-quinazolin-2-yl)-3,3-dimethyl-butyrate Formula: C14H15N2O3- MolecularWeight: 259.2805

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC1=NC(=O)C2=CC=CC=C2N1)CC(=O)[O-]

Isomeric SMILES

CC(C)(CC1=NC(=O)C2=CC=CC=C2N1)CC(=O)[O-]

InChI

InChI=1S/C14H16N2O3/c1-14(2,8-12(17)18)7-11-15-10-6-4-3-5-9(10)13(19)16-11/h3-6H,7-8H2,1-2H3,(H,17,18)(H,15,16,19)/p-1