4-[[4-bromanyl-2-(propan-2-ylcarbamoyl)phenyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[4-bromanyl-2-(propan-2-ylcarbamoyl)phenyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[4-bromo-2-(isopropylcarbamoyl)anilino]-4-oxo-butanoic acid CAS Name: 4-[4-bromo-2-[oxo-(propan-2-ylamino)methyl]anilino]-4-oxobutanoic acid IUPAC Name: 4-[4-bromo-2-(propan-2-ylcarbamoyl)anilino]-4-oxobutanoic acid Traditional Name: 4-[4-bromo-2-(isopropylcarbamoyl)anilino]-4-keto-butyric acid Formula: C14H17BrN2O4 MolecularWeight: 357.19978

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C1=C(C=CC(=C1)Br)NC(=O)CCC(=O)O

Isomeric SMILES

CC(C)NC(=O)C1=C(C=CC(=C1)Br)NC(=O)CCC(=O)O

InChI

InChI=1S/C14H17BrN2O4/c1-8(2)16-14(21)10-7-9(15)3-4-11(10)17-12(18)5-6-13(19)20/h3-4,7-8H,5-6H2,1-2H3,(H,16,21)(H,17,18)(H,19,20)