[(1-bromanyl-5-phenyl-pentan-3-yl)-oxidanylidene-azaniumyl]methanoate

Systemtic Name: [(1-bromanyl-5-phenyl-pentan-3-yl)-oxidanylidene-azaniumyl]methanoate Openeye Name: [[1-(2-bromoethyl)-3-phenyl-propyl]-oxo-ammonio]formate CAS Name: [(1-bromo-5-phenylpentan-3-yl)-oxoammonio]formate IUPAC Name: [(1-bromo-5-phenylpentan-3-yl)-oxoazaniumyl]formate Traditional Name: [[1-(2-bromoethyl)-3-phenyl-propyl]-keto-ammonio]formate Formula: C12H14BrNO3 MolecularWeight: 300.14846

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(CCBr)[N+](=O)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CCC(CCBr)[N+](=O)C(=O)[O-]

InChI

InChI=1S/C12H14BrNO3/c13-9-8-11(14(17)12(15)16)7-6-10-4-2-1-3-5-10/h1-5,11H,6-9H2