4-[(2R,3S)-1-ethanoyl-3-(phenylcarbonyl)aziridin-2-yl]butanal

Systemtic Name: 4-[(2R,3S)-1-ethanoyl-3-(phenylcarbonyl)aziridin-2-yl]butanal Openeye Name: 4-[(2R,3S)-1-acetyl-3-benzoyl-aziridin-2-yl]butanal CAS Name: 4-[(2R,3S)-1-acetyl-3-benzoyl-2-aziridinyl]butanal IUPAC Name: 4-[(2R,3S)-1-acetyl-3-benzoylaziridin-2-yl]butanal Traditional Name: 4-[(2R,3S)-1-acetyl-3-benzoyl-ethylenimin-2-yl]butyraldehyde Formula: C15H17NO3 MolecularWeight: 259.30038

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(C1C(=O)C2=CC=CC=C2)CCCC=O

Isomeric SMILES

CC(=O)N1[C@@H]([C@H]1C(=O)C2=CC=CC=C2)CCCC=O

InChI

InChI=1S/C15H17NO3/c1-11(18)16-13(9-5-6-10-17)14(16)15(19)12-7-3-2-4-8-12/h2-4,7-8,10,13-14H,5-6,9H2,1H3/t13-,14+,16?/m1/s1