3-azanyl-1-bromanyl-4-(3,4-dimethoxyphenyl)butan-2-one

Systemtic Name: 3-azanyl-1-bromanyl-4-(3,4-dimethoxyphenyl)butan-2-one Openeye Name: 3-amino-1-bromo-4-(3,4-dimethoxyphenyl)butan-2-one CAS Name: 3-amino-1-bromo-4-(3,4-dimethoxyphenyl)-2-butanone IUPAC Name: 3-amino-1-bromo-4-(3,4-dimethoxyphenyl)butan-2-one Traditional Name: 3-amino-1-bromo-4-(3,4-dimethoxyphenyl)butan-2-one Formula: C12H16BrNO3 MolecularWeight: 302.16434

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC(C(=O)CBr)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC(C(=O)CBr)N)OC

InChI

InChI=1S/C12H16BrNO3/c1-16-11-4-3-8(6-12(11)17-2)5-9(14)10(15)7-13/h3-4,6,9H,5,7,14H2,1-2H3