(E,7S)-N-(2-aminophenyl)-7-(5-bromanyl-2-oxidanyl-phenyl)-7-oxidanyl-hept-2-enamide

Systemtic Name: (E,7S)-N-(2-aminophenyl)-7-(5-bromanyl-2-oxidanyl-phenyl)-7-oxidanyl-hept-2-enamide Openeye Name: (E,7S)-N-(2-aminophenyl)-7-(5-bromo-2-hydroxy-phenyl)-7-hydroxy-hept-2-enamide CAS Name: (E,7S)-N-(2-aminophenyl)-7-(5-bromo-2-hydroxyphenyl)-7-hydroxy-2-heptenamide IUPAC Name: (E,7S)-N-(2-aminophenyl)-7-(5-bromo-2-hydroxyphenyl)-7-hydroxyhept-2-enamide Traditional Name: (E,7S)-N-(2-aminophenyl)-7-(5-bromo-2-hydroxy-phenyl)-7-hydroxy-hept-2-enamide Formula: C19H21BrN2O3 MolecularWeight: 405.28564

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)N)NC(=O)C=CCCCC(C2=C(C=CC(=C2)Br)O)O

Isomeric SMILES

C1=CC=C(C(=C1)N)NC(=O)/C=C/CCC[C@@H](C2=C(C=CC(=C2)Br)O)O

InChI

InChI=1S/C19H21BrN2O3/c20-13-10-11-18(24)14(12-13)17(23)8-2-1-3-9-19(25)22-16-7-5-4-6-15(16)21/h3-7,9-12,17,23-24H,1-2,8,21H2,(H,22,25)/b9-3+/t17-/m0/s1