2-[1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]oxy-5-bromanyl-benzaldehyde

Systemtic Name: 2-[1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]oxy-5-bromanyl-benzaldehyde Openeye Name: 2-[2-(azepan-1-yl)-1-methyl-2-oxo-ethoxy]-5-bromo-benzaldehyde CAS Name: 2-[1-(1-azepanyl)-1-oxopropan-2-yl]oxy-5-bromobenzaldehyde IUPAC Name: 2-[1-(azepan-1-yl)-1-oxopropan-2-yl]oxy-5-bromobenzaldehyde Traditional Name: 2-[2-(azepan-1-yl)-2-keto-1-methyl-ethoxy]-5-bromo-benzaldehyde Formula: C16H20BrNO3 MolecularWeight: 354.2389

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)OC2=C(C=C(C=C2)Br)C=O

Isomeric SMILES

CC(C(=O)N1CCCCCC1)OC2=C(C=C(C=C2)Br)C=O

InChI

InChI=1S/C16H20BrNO3/c1-12(16(20)18-8-4-2-3-5-9-18)21-15-7-6-14(17)10-13(15)11-19/h6-7,10-12H,2-5,8-9H2,1H3