N-(5-oxidanylbenzo[a]pyren-4-yl)ethanamide

Systemtic Name: N-(5-oxidanylbenzo[a]pyren-4-yl)ethanamide Openeye Name: N-(5-hydroxybenzo[a]pyren-4-yl)acetamide CAS Name: N-(5-hydroxy-4-benzo[a]pyrenyl)acetamide IUPAC Name: N-(5-hydroxybenzo[a]pyren-4-yl)acetamide Traditional Name: N-(5-hydroxybenzo[a]pyren-4-yl)acetamide Formula: C22H15NO2 MolecularWeight: 325.36

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C2=CC3=CC=CC=C3C4=C2C5=C(C=CC=C51)C=C4)O

Isomeric SMILES

CC(=O)NC1=C(C2=CC3=CC=CC=C3C4=C2C5=C(C=CC=C51)C=C4)O

InChI

InChI=1S/C22H15NO2/c1-12(24)23-21-17-8-4-6-13-9-10-16-15-7-3-2-5-14(15)11-18(22(21)25)20(16)19(13)17/h2-11,25H,1H3,(H,23,24)