N-ethanoyl-N-(9-oxidanylbenzo[a]pyren-4-yl)ethanamide

Systemtic Name: N-ethanoyl-N-(9-oxidanylbenzo[a]pyren-4-yl)ethanamide Openeye Name: N-acetyl-N-(9-hydroxybenzo[a]pyren-4-yl)acetamide CAS Name: N-acetyl-N-(9-hydroxy-4-benzo[a]pyrenyl)acetamide IUPAC Name: N-acetyl-N-(9-hydroxybenzo[a]pyren-4-yl)acetamide Traditional Name: N-acetyl-N-(9-hydroxybenzo[a]pyren-4-yl)acetamide Formula: C24H17NO3 MolecularWeight: 367.39668

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(C1=CC2=C3C(=C4C=C(C=CC4=C2)O)C=CC5=C3C1=CC=C5)C(=O)C

Isomeric SMILES

CC(=O)N(C1=CC2=C3C(=C4C=C(C=CC4=C2)O)C=CC5=C3C1=CC=C5)C(=O)C

InChI

InChI=1S/C24H17NO3/c1-13(26)25(14(2)27)22-11-17-10-16-6-8-18(28)12-21(16)19-9-7-15-4-3-5-20(22)23(15)24(17)19/h3-12,28H,1-2H3