7-[4-(4-azanyl-3-bromanyl-phenyl)carbonylphenoxy]hept-1-en-3-one

Systemtic Name: 7-[4-(4-azanyl-3-bromanyl-phenyl)carbonylphenoxy]hept-1-en-3-one Openeye Name: 7-[4-(4-amino-3-bromo-benzoyl)phenoxy]hept-1-en-3-one CAS Name: 7-[4-[(4-amino-3-bromophenyl)-oxomethyl]phenoxy]-1-hepten-3-one IUPAC Name: 7-[4-(4-amino-3-bromobenzoyl)phenoxy]hept-1-en-3-one Traditional Name: 7-[4-(4-amino-3-bromo-benzoyl)phenoxy]hept-1-en-3-one Formula: C20H20BrNO3 MolecularWeight: 402.2817

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(=O)CCCCOC1=CC=C(C=C1)C(=O)C2=CC(=C(C=C2)N)Br

Isomeric SMILES

C=CC(=O)CCCCOC1=CC=C(C=C1)C(=O)C2=CC(=C(C=C2)N)Br

InChI

InChI=1S/C20H20BrNO3/c1-2-16(23)5-3-4-12-25-17-9-6-14(7-10-17)20(24)15-8-11-19(22)18(21)13-15/h2,6-11,13H,1,3-5,12,22H2