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

Systemtic Name: 3-[3-(4-bromanyl-2-chloranyl-phenoxy)propyl]quinazolin-4-one; ethanedioic acid Openeye Name: 3-[3-(4-bromo-2-chloro-phenoxy)propyl]quinazolin-4-one; oxalic acid CAS Name: 3-[3-(4-bromo-2-chlorophenoxy)propyl]-4-quinazolinone; oxalic acid IUPAC Name: 3-[3-(4-bromo-2-chlorophenoxy)propyl]quinazolin-4-one; oxalic acid Traditional Name: 3-[3-(4-bromo-2-chloro-phenoxy)propyl]quinazolin-4-one; oxalic acid Formula: C19H16BrClN2O6 MolecularWeight: 483.69714

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C=N2)CCCOC3=C(C=C(C=C3)Br)Cl.C(=O)(C(=O)O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C=N2)CCCOC3=C(C=C(C=C3)Br)Cl.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H14BrClN2O2.C2H2O4/c18-12-6-7-16(14(19)10-12)23-9-3-8-21-11-20-15-5-2-1-4-13(15)17(21)22;3-1(4)2(5)6/h1-2,4-7,10-11H,3,8-9H2;(H,3,4)(H,5,6)