2-[4-azanyl-5-bromanyl-2-cyano-3-(methylamino)phenyl]-2-methyl-3-oxidanylidene-butanoic acid

Systemtic Name: 2-[4-azanyl-5-bromanyl-2-cyano-3-(methylamino)phenyl]-2-methyl-3-oxidanylidene-butanoic acid Openeye Name: 2-[4-amino-5-bromo-2-cyano-3-(methylamino)phenyl]-2-methyl-3-oxo-butanoic acid CAS Name: 2-[4-amino-5-bromo-2-cyano-3-(methylamino)phenyl]-2-methyl-3-oxobutanoic acid IUPAC Name: 2-[4-amino-5-bromo-2-cyano-3-(methylamino)phenyl]-2-methyl-3-oxobutanoic acid Traditional Name: 2-[4-amino-5-bromo-2-cyano-3-(methylamino)phenyl]-3-keto-2-methyl-butyric acid Formula: C13H14BrN3O3 MolecularWeight: 340.17256

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C)(C1=CC(=C(C(=C1C#N)NC)N)Br)C(=O)O

Isomeric SMILES

CC(=O)C(C)(C1=CC(=C(C(=C1C#N)NC)N)Br)C(=O)O

InChI

InChI=1S/C13H14BrN3O3/c1-6(18)13(2,12(19)20)8-4-9(14)10(16)11(17-3)7(8)5-15/h4,17H,16H2,1-3H3,(H,19,20)