4-[[2-[(3-bromophenyl)amino]-2-oxidanylidene-ethyl]amino]butanoic acid

Systemtic Name: 4-[[2-[(3-bromophenyl)amino]-2-oxidanylidene-ethyl]amino]butanoic acid Openeye Name: 4-[[2-(3-bromoanilino)-2-oxo-ethyl]amino]butanoic acid CAS Name: 4-[[2-(3-bromoanilino)-2-oxoethyl]amino]butanoic acid IUPAC Name: 4-[[2-(3-bromoanilino)-2-oxoethyl]amino]butanoic acid Traditional Name: 4-[[2-(3-bromoanilino)-2-keto-ethyl]amino]butyric acid Formula: C12H15BrN2O3 MolecularWeight: 315.1631

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)NC(=O)CNCCCC(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)Br)NC(=O)CNCCCC(=O)O

InChI

InChI=1S/C12H15BrN2O3/c13-9-3-1-4-10(7-9)15-11(16)8-14-6-2-5-12(17)18/h1,3-4,7,14H,2,5-6,8H2,(H,15,16)(H,17,18)