2-[(Z)-2-(4-tert-butylphenyl)-1-chloranyl-ethenyl]-4-oxidanylidene-1H-quinazoline-7-carboxylic acid

Systemtic Name: 2-[(Z)-2-(4-tert-butylphenyl)-1-chloranyl-ethenyl]-4-oxidanylidene-1H-quinazoline-7-carboxylic acid Openeye Name: 2-[(Z)-2-(4-tert-butylphenyl)-1-chloro-vinyl]-4-oxo-1H-quinazoline-7-carboxylic acid CAS Name: 2-[(Z)-2-(4-tert-butylphenyl)-1-chloroethenyl]-4-oxo-1H-quinazoline-7-carboxylic acid IUPAC Name: 2-[(Z)-2-(4-tert-butylphenyl)-1-chloroethenyl]-4-oxo-1H-quinazoline-7-carboxylic acid Traditional Name: 2-[(Z)-2-(4-tert-butylphenyl)-1-chloro-vinyl]-4-keto-1H-quinazoline-7-carboxylic acid Formula: C21H19ClN2O3 MolecularWeight: 382.84016

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C=C(C2=NC(=O)C3=C(N2)C=C(C=C3)C(=O)O)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)/C=C(/C2=NC(=O)C3=C(N2)C=C(C=C3)C(=O)O)\Cl

InChI

InChI=1S/C21H19ClN2O3/c1-21(2,3)14-7-4-12(5-8-14)10-16(22)18-23-17-11-13(20(26)27)6-9-15(17)19(25)24-18/h4-11H,1-3H3,(H,26,27)(H,23,24,25)/b16-10-