N-[5,9-bis(oxidanyl)benzo[a]pyren-4-yl]ethanamide

Systemtic Name: N-[5,9-bis(oxidanyl)benzo[a]pyren-4-yl]ethanamide Openeye Name: N-(5,9-dihydroxybenzo[a]pyren-4-yl)acetamide CAS Name: N-(5,9-dihydroxy-4-benzo[a]pyrenyl)acetamide IUPAC Name: N-(5,9-dihydroxybenzo[a]pyren-4-yl)acetamide Traditional Name: N-(5,9-dihydroxybenzo[a]pyren-4-yl)acetamide Formula: C22H15NO3 MolecularWeight: 341.3594

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C2=C3C(=C4C=C(C=CC4=C2)O)C=CC5=C3C1=CC=C5)O

Isomeric SMILES

CC(=O)NC1=C(C2=C3C(=C4C=C(C=CC4=C2)O)C=CC5=C3C1=CC=C5)O

InChI

InChI=1S/C22H15NO3/c1-11(24)23-21-16-4-2-3-12-6-8-15-17-10-14(25)7-5-13(17)9-18(22(21)26)20(15)19(12)16/h2-10,25-26H,1H3,(H,23,24)