N-[(9S,10S)-9,10-bis(oxidanyl)-9,10-dihydrobenzo[a]pyren-4-yl]-N-ethanoyl-ethanamide

Systemtic Name: N-[(9S,10S)-9,10-bis(oxidanyl)-9,10-dihydrobenzo[a]pyren-4-yl]-N-ethanoyl-ethanamide Openeye Name: N-acetyl-N-[(9S,10S)-9,10-dihydroxy-9,10-dihydrobenzo[a]pyren-4-yl]acetamide CAS Name: N-acetyl-N-[(9S,10S)-9,10-dihydroxy-9,10-dihydrobenzo[a]pyren-4-yl]acetamide IUPAC Name: N-acetyl-N-[(9S,10S)-9,10-dihydroxy-9,10-dihydrobenzo[a]pyren-4-yl]acetamide Traditional Name: N-acetyl-N-[(9S,10S)-9,10-dihydroxy-9,10-dihydrobenzo[a]pyren-4-yl]acetamide Formula: C24H19NO4 MolecularWeight: 385.41196

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(C1=CC2=CC3=C(C(C(C=C3)O)O)C4=C2C5=C(C=CC=C15)C=C4)C(=O)C

Isomeric SMILES

CC(=O)N(C1=CC2=CC3=C([C@@H]([C@H](C=C3)O)O)C4=C2C5=C(C=CC=C15)C=C4)C(=O)C

InChI

InChI=1S/C24H19NO4/c1-12(26)25(13(2)27)19-11-16-10-15-7-9-20(28)24(29)23(15)18-8-6-14-4-3-5-17(19)21(14)22(16)18/h3-11,20,24,28-29H,1-2H3/t20-,24+/m0/s1