2-azanyl-4-(2-azanyl-4-bromanyl-6-ethyl-phenyl)-4-oxidanylidene-butanoic acid

Systemtic Name: 2-azanyl-4-(2-azanyl-4-bromanyl-6-ethyl-phenyl)-4-oxidanylidene-butanoic acid Openeye Name: 2-amino-4-(2-amino-4-bromo-6-ethyl-phenyl)-4-oxo-butanoic acid CAS Name: 2-amino-4-(2-amino-4-bromo-6-ethylphenyl)-4-oxobutanoic acid IUPAC Name: 2-amino-4-(2-amino-4-bromo-6-ethylphenyl)-4-oxobutanoic acid Traditional Name: 2-amino-4-(2-amino-4-bromo-6-ethyl-phenyl)-4-keto-butyric acid Formula: C12H15BrN2O3 MolecularWeight: 315.1631

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC(=C1C(=O)CC(C(=O)O)N)N)Br

Isomeric SMILES

CCC1=CC(=CC(=C1C(=O)CC(C(=O)O)N)N)Br

InChI

InChI=1S/C12H15BrN2O3/c1-2-6-3-7(13)4-8(14)11(6)10(16)5-9(15)12(17)18/h3-4,9H,2,5,14-15H2,1H3,(H,17,18)