2-[(6-bromanyl-3-butyl-2-cyano-phenyl)amino]-2-oxidanylidene-ethanoic acid

Systemtic Name: 2-[(6-bromanyl-3-butyl-2-cyano-phenyl)amino]-2-oxidanylidene-ethanoic acid Openeye Name: 2-(6-bromo-3-butyl-2-cyano-anilino)-2-oxo-acetic acid CAS Name: 2-(6-bromo-3-butyl-2-cyanoanilino)-2-oxoacetic acid IUPAC Name: 2-(6-bromo-3-butyl-2-cyanoanilino)-2-oxoacetic acid Traditional Name: 2-(6-bromo-3-butyl-2-cyano-anilino)-2-keto-acetic acid Formula: C13H13BrN2O3 MolecularWeight: 325.15792

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=C(C=C1)Br)NC(=O)C(=O)O)C#N

Isomeric SMILES

CCCCC1=C(C(=C(C=C1)Br)NC(=O)C(=O)O)C#N

InChI

InChI=1S/C13H13BrN2O3/c1-2-3-4-8-5-6-10(14)11(9(8)7-15)16-12(17)13(18)19/h5-6H,2-4H2,1H3,(H,16,17)(H,18,19)