4-[(2-bromophenyl)amino]-2,2-diethyl-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(2-bromophenyl)amino]-2,2-diethyl-4-oxidanylidene-butanoic acid Openeye Name: 4-(2-bromoanilino)-2,2-diethyl-4-oxo-butanoic acid CAS Name: 4-(2-bromoanilino)-2,2-diethyl-4-oxobutanoic acid IUPAC Name: 4-(2-bromoanilino)-2,2-diethyl-4-oxobutanoic acid Traditional Name: 4-(2-bromoanilino)-2,2-diethyl-4-keto-butyric acid Formula: C14H18BrNO3 MolecularWeight: 328.20162

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(CC(=O)NC1=CC=CC=C1Br)C(=O)O

Isomeric SMILES

CCC(CC)(CC(=O)NC1=CC=CC=C1Br)C(=O)O

InChI

InChI=1S/C14H18BrNO3/c1-3-14(4-2,13(18)19)9-12(17)16-11-8-6-5-7-10(11)15/h5-8H,3-4,9H2,1-2H3,(H,16,17)(H,18,19)