ethanoyl fluoride; (phenylmethyl) N-(2-azanylethyl)-N-(2-azanyl-2-oxidanylidene-ethyl)carbamate

Systemtic Name: ethanoyl fluoride; (phenylmethyl) N-(2-azanylethyl)-N-(2-azanyl-2-oxidanylidene-ethyl)carbamate Openeye Name: acetyl fluoride; benzyl N-(2-aminoethyl)-N-(2-amino-2-oxo-ethyl)carbamate CAS Name: acetyl fluoride; N-(2-aminoethyl)-N-(2-amino-2-oxoethyl)carbamic acid (phenylmethyl) ester IUPAC Name: acetyl fluoride; benzyl N-(2-aminoethyl)-N-(2-amino-2-oxoethyl)carbamate Traditional Name: acetyl fluoride; N-(2-aminoethyl)-N-(2-amino-2-keto-ethyl)carbamic acid benzyl ester Formula: C18H26F3N3O6 MolecularWeight: 437.41075

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)F.CC(=O)F.CC(=O)F.C1=CC=C(C=C1)COC(=O)N(CCN)CC(=O)N

Isomeric SMILES

CC(=O)F.CC(=O)F.CC(=O)F.C1=CC=C(C=C1)COC(=O)N(CCN)CC(=O)N

InChI

InChI=1S/C12H17N3O3.3C2H3FO/c13-6-7-15(8-11(14)16)12(17)18-9-10-4-2-1-3-5-10;3*1-2(3)4/h1-5H,6-9,13H2,(H2,14,16);3*1H3