5-[(2-bromanyl-4-methyl-phenyl)amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[(2-bromanyl-4-methyl-phenyl)amino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-(2-bromo-4-methyl-anilino)-5-oxo-pentanoic acid CAS Name: 5-(2-bromo-4-methylanilino)-5-oxopentanoic acid IUPAC Name: 5-(2-bromo-4-methylanilino)-5-oxopentanoic acid Traditional Name: 5-(2-bromo-4-methyl-anilino)-5-keto-valeric acid Formula: C12H14BrNO3 MolecularWeight: 300.14846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14BrNO3/c1-8-5-6-10(9(13)7-8)14-11(15)3-2-4-12(16)17/h5-7H,2-4H2,1H3,(H,14,15)(H,16,17)