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

Systemtic Name: 4-[5-bromanyl-2-(3-cyanopropoxy)phenyl]-2,4-bis(oxidanylidene)butanoic acid Openeye Name: 4-[5-bromo-2-(3-cyanopropoxy)phenyl]-2,4-dioxo-butanoic acid CAS Name: 4-[5-bromo-2-(3-cyanopropoxy)phenyl]-2,4-dioxobutanoic acid IUPAC Name: 4-[5-bromo-2-(3-cyanopropoxy)phenyl]-2,4-dioxobutanoic acid Traditional Name: 4-[5-bromo-2-(3-cyanopropoxy)phenyl]-2,4-diketo-butyric acid Formula: C14H12BrNO5 MolecularWeight: 354.15278

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Br)C(=O)CC(=O)C(=O)O)OCCCC#N

Isomeric SMILES

C1=CC(=C(C=C1Br)C(=O)CC(=O)C(=O)O)OCCCC#N

InChI

InChI=1S/C14H12BrNO5/c15-9-3-4-13(21-6-2-1-5-16)10(7-9)11(17)8-12(18)14(19)20/h3-4,7H,1-2,6,8H2,(H,19,20)