3-[2-(2-bromanyl-4-chloranyl-phenoxy)ethyl]quinazolin-4-one; ethanedioic acid

Systemtic Name: 3-[2-(2-bromanyl-4-chloranyl-phenoxy)ethyl]quinazolin-4-one; ethanedioic acid Openeye Name: 3-[2-(2-bromo-4-chloro-phenoxy)ethyl]quinazolin-4-one; oxalic acid CAS Name: 3-[2-(2-bromo-4-chlorophenoxy)ethyl]-4-quinazolinone; oxalic acid IUPAC Name: 3-[2-(2-bromo-4-chlorophenoxy)ethyl]quinazolin-4-one; oxalic acid Traditional Name: 3-[2-(2-bromo-4-chloro-phenoxy)ethyl]quinazolin-4-one; oxalic acid Formula: C18H14BrClN2O6 MolecularWeight: 469.67056

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C=N2)CCOC3=C(C=C(C=C3)Cl)Br.C(=O)(C(=O)O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C=N2)CCOC3=C(C=C(C=C3)Cl)Br.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H12BrClN2O2.C2H2O4/c17-13-9-11(18)5-6-15(13)22-8-7-20-10-19-14-4-2-1-3-12(14)16(20)21;3-1(4)2(5)6/h1-6,9-10H,7-8H2;(H,3,4)(H,5,6)