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

Systemtic Name: 3-[4-(2-bromanyl-4-chloranyl-phenoxy)butyl]quinazolin-4-one; ethanedioic acid Openeye Name: 3-[4-(2-bromo-4-chloro-phenoxy)butyl]quinazolin-4-one; oxalic acid CAS Name: 3-[4-(2-bromo-4-chlorophenoxy)butyl]-4-quinazolinone; oxalic acid IUPAC Name: 3-[4-(2-bromo-4-chlorophenoxy)butyl]quinazolin-4-one; oxalic acid Traditional Name: 3-[4-(2-bromo-4-chloro-phenoxy)butyl]quinazolin-4-one; oxalic acid Formula: C20H18BrClN2O6 MolecularWeight: 497.72372

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C=N2)CCCCOC3=C(C=C(C=C3)Cl)Br.C(=O)(C(=O)O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C=N2)CCCCOC3=C(C=C(C=C3)Cl)Br.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H16BrClN2O2.C2H2O4/c19-15-11-13(20)7-8-17(15)24-10-4-3-9-22-12-21-16-6-2-1-5-14(16)18(22)23;3-1(4)2(5)6/h1-2,5-8,11-12H,3-4,9-10H2;(H,3,4)(H,5,6)