4-azanyl-2-[(4-bromanyl-2-methyl-phenyl)carbonylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-azanyl-2-[(4-bromanyl-2-methyl-phenyl)carbonylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-amino-2-[(4-bromo-2-methyl-benzoyl)amino]-4-oxo-butanoic acid CAS Name: 4-amino-2-[[(4-bromo-2-methylphenyl)-oxomethyl]amino]-4-oxobutanoic acid IUPAC Name: 4-amino-2-[(4-bromo-2-methylbenzoyl)amino]-4-oxobutanoic acid Traditional Name: 4-amino-2-[(4-bromo-2-methyl-benzoyl)amino]-4-keto-butyric acid Formula: C12H13BrN2O4 MolecularWeight: 329.14662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)C(=O)NC(CC(=O)N)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)Br)C(=O)NC(CC(=O)N)C(=O)O

InChI

InChI=1S/C12H13BrN2O4/c1-6-4-7(13)2-3-8(6)11(17)15-9(12(18)19)5-10(14)16/h2-4,9H,5H2,1H3,(H2,14,16)(H,15,17)(H,18,19)