ethyl (E)-2-bromanyl-3-[[2-chloranyl-5-(tetradecanoylamino)phenyl]amino]pent-2-eneperoxoate

Systemtic Name: ethyl (E)-2-bromanyl-3-[[2-chloranyl-5-(tetradecanoylamino)phenyl]amino]pent-2-eneperoxoate Openeye Name: ethyl (E)-2-bromo-3-[2-chloro-5-(tetradecanoylamino)anilino]pent-2-eneperoxoate CAS Name: (E)-2-bromo-3-[2-chloro-5-(1-oxotetradecylamino)anilino]-2-penteneperoxoic acid ethyl ester IUPAC Name: ethyl (E)-2-bromo-3-[2-chloro-5-(tetradecanoylamino)anilino]pent-2-eneperoxoate Traditional Name: (E)-2-bromo-3-[2-chloro-5-(tetradecanoylamino)anilino]pent-2-eneperoxoic acid ethyl ester Formula: C27H42BrClN2O4 MolecularWeight: 573.99038

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(=O)NC1=CC(=C(C=C1)Cl)NC(=C(C(=O)OOCC)Br)CC

Isomeric SMILES

CCCCCCCCCCCCCC(=O)NC1=CC(=C(C=C1)Cl)N/C(=C(\C(=O)OOCC)/Br)/CC

InChI

InChI=1S/C27H42BrClN2O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-25(32)30-21-18-19-22(29)24(20-21)31-23(5-2)26(28)27(33)35-34-6-3/h18-20,31H,4-17H2,1-3H3,(H,30,32)/b26-23+