2-[(6-bromanyl-3-ethyl-4-oxidanylidene-quinazolin-2-yl)methyl]benzoic acid

Systemtic Name: 2-[(6-bromanyl-3-ethyl-4-oxidanylidene-quinazolin-2-yl)methyl]benzoic acid Openeye Name: 2-[(6-bromo-3-ethyl-4-oxo-quinazolin-2-yl)methyl]benzoic acid CAS Name: 2-[(6-bromo-3-ethyl-4-oxo-2-quinazolinyl)methyl]benzoic acid IUPAC Name: 2-[(6-bromo-3-ethyl-4-oxoquinazolin-2-yl)methyl]benzoic acid Traditional Name: 2-[(6-bromo-3-ethyl-4-keto-quinazolin-2-yl)methyl]benzoic acid Formula: C18H15BrN2O3 MolecularWeight: 387.2273

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NC2=C(C1=O)C=C(C=C2)Br)CC3=CC=CC=C3C(=O)O

Isomeric SMILES

CCN1C(=NC2=C(C1=O)C=C(C=C2)Br)CC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C18H15BrN2O3/c1-2-21-16(9-11-5-3-4-6-13(11)18(23)24)20-15-8-7-12(19)10-14(15)17(21)22/h3-8,10H,2,9H2,1H3,(H,23,24)