4-[3-[(5-bromanyl-2-cyano-phenyl)methoxy]phenyl]-2,4-bis(oxidanylidene)butanoic acid

Systemtic Name: 4-[3-[(5-bromanyl-2-cyano-phenyl)methoxy]phenyl]-2,4-bis(oxidanylidene)butanoic acid Openeye Name: 4-[3-[(5-bromo-2-cyano-phenyl)methoxy]phenyl]-2,4-dioxo-butanoic acid CAS Name: 4-[3-[(5-bromo-2-cyanophenyl)methoxy]phenyl]-2,4-dioxobutanoic acid IUPAC Name: 4-[3-[(5-bromo-2-cyanophenyl)methoxy]phenyl]-2,4-dioxobutanoic acid Traditional Name: 4-[3-(5-bromo-2-cyano-benzyl)oxyphenyl]-2,4-diketo-butyric acid Formula: C18H12BrNO5 MolecularWeight: 402.19558

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OCC2=C(C=CC(=C2)Br)C#N)C(=O)CC(=O)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)OCC2=C(C=CC(=C2)Br)C#N)C(=O)CC(=O)C(=O)O

InChI

InChI=1S/C18H12BrNO5/c19-14-5-4-12(9-20)13(6-14)10-25-15-3-1-2-11(7-15)16(21)8-17(22)18(23)24/h1-7H,8,10H2,(H,23,24)