N-[1,9-bis(oxidanyl)benzo[a]pyren-4-yl]-N-ethanoyl-ethanamide

Systemtic Name: N-[1,9-bis(oxidanyl)benzo[a]pyren-4-yl]-N-ethanoyl-ethanamide Openeye Name: N-acetyl-N-(1,9-dihydroxybenzo[a]pyren-4-yl)acetamide CAS Name: N-acetyl-N-(1,9-dihydroxy-4-benzo[a]pyrenyl)acetamide IUPAC Name: N-acetyl-N-(1,9-dihydroxybenzo[a]pyren-4-yl)acetamide Traditional Name: N-acetyl-N-(1,9-dihydroxybenzo[a]pyren-4-yl)acetamide Formula: C24H17NO4 MolecularWeight: 383.39608

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(C1=C2C=CC(=C3C2=C4C(=C5C=C(C=CC5=CC4=C1)O)C=C3)O)C(=O)C

Isomeric SMILES

CC(=O)N(C1=C2C=CC(=C3C2=C4C(=C5C=C(C=CC5=CC4=C1)O)C=C3)O)C(=O)C

InChI

InChI=1S/C24H17NO4/c1-12(26)25(13(2)27)21-10-15-9-14-3-4-16(28)11-20(14)17-5-6-19-22(29)8-7-18(21)24(19)23(15)17/h3-11,28-29H,1-2H3