4-[(3-bromophenyl)methylamino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[(3-bromophenyl)methylamino]-4-oxidanylidene-butanoate Openeye Name: 4-[(3-bromophenyl)methylamino]-4-oxo-butanoate CAS Name: 4-[(3-bromophenyl)methylamino]-4-oxobutanoate IUPAC Name: 4-[(3-bromophenyl)methylamino]-4-oxobutanoate Traditional Name: 4-[(3-bromobenzyl)amino]-4-keto-butyrate Formula: C11H11BrNO3- MolecularWeight: 285.11394

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)CNC(=O)CCC(=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)Br)CNC(=O)CCC(=O)[O-]

InChI

InChI=1S/C11H12BrNO3/c12-9-3-1-2-8(6-9)7-13-10(14)4-5-11(15)16/h1-3,6H,4-5,7H2,(H,13,14)(H,15,16)/p-1