2-[(2-butylphenyl)amino]-2-oxidanylidene-ethanoic acid

Systemtic Name: 2-[(2-butylphenyl)amino]-2-oxidanylidene-ethanoic acid Openeye Name: 2-(2-butylanilino)-2-oxo-acetic acid CAS Name: 2-(2-butylanilino)-2-oxoacetic acid IUPAC Name: 2-(2-butylanilino)-2-oxoacetic acid Traditional Name: 2-(2-butylanilino)-2-keto-acetic acid Formula: C12H15NO3 MolecularWeight: 221.2524

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=CC=C1NC(=O)C(=O)O

Isomeric SMILES

CCCCC1=CC=CC=C1NC(=O)C(=O)O

InChI

InChI=1S/C12H15NO3/c1-2-3-6-9-7-4-5-8-10(9)13-11(14)12(15)16/h4-5,7-8H,2-3,6H2,1H3,(H,13,14)(H,15,16)