4-[[(4-bromophenyl)-cyano-methyl]-methyl-amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[(4-bromophenyl)-cyano-methyl]-methyl-amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[(4-bromophenyl)-cyano-methyl]-methyl-amino]-4-oxo-butanoic acid CAS Name: 4-[[(4-bromophenyl)-cyanomethyl]-methylamino]-4-oxobutanoic acid IUPAC Name: 4-[[(4-bromophenyl)-cyanomethyl]-methylamino]-4-oxobutanoic acid Traditional Name: 4-[[(4-bromophenyl)-cyano-methyl]-methyl-amino]-4-keto-butyric acid Formula: C13H13BrN2O3 MolecularWeight: 325.15792

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C(C#N)C1=CC=C(C=C1)Br)C(=O)CCC(=O)O

Isomeric SMILES

CN(C(C#N)C1=CC=C(C=C1)Br)C(=O)CCC(=O)O

InChI

InChI=1S/C13H13BrN2O3/c1-16(12(17)6-7-13(18)19)11(8-15)9-2-4-10(14)5-3-9/h2-5,11H,6-7H2,1H3,(H,18,19)