[(4R,5S)-5-acetyloxy-6-nitro-4,5-dihydrobenzo[a]pyren-4-yl] ethanoate

Systemtic Name: [(4R,5S)-5-acetyloxy-6-nitro-4,5-dihydrobenzo[a]pyren-4-yl] ethanoate Openeye Name: [(4R,5S)-5-acetoxy-6-nitro-4,5-dihydrobenzo[a]pyren-4-yl] acetate CAS Name: acetic acid [(4R,5S)-5-acetyloxy-6-nitro-4,5-dihydrobenzo[a]pyren-4-yl] ester IUPAC Name: [(4R,5S)-5-acetyloxy-6-nitro-4,5-dihydrobenzo[a]pyren-4-yl] acetate Traditional Name: acetic acid [(4R,5S)-5-acetoxy-6-nitro-4,5-dihydrobenzo[a]pyren-4-yl] ester Formula: C24H17NO6 MolecularWeight: 415.39488

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(C2=C(C3=CC=CC=C3C4=C2C5=C(C=CC=C15)C=C4)[N+](=O)[O-])OC(=O)C

Isomeric SMILES

CC(=O)O[C@H]1[C@H](C2=C(C3=CC=CC=C3C4=C2C5=C(C=CC=C15)C=C4)[N+](=O)[O-])OC(=O)C

InChI

InChI=1S/C24H17NO6/c1-12(26)30-23-18-9-5-6-14-10-11-16-15-7-3-4-8-17(15)22(25(28)29)21(20(16)19(14)18)24(23)31-13(2)27/h3-11,23-24H,1-2H3/t23-,24+/m1/s1