(5-acetyloxy-6-nitro-benzo[e]pyren-4-yl) ethanoate

Systemtic Name: (5-acetyloxy-6-nitro-benzo[e]pyren-4-yl) ethanoate Openeye Name: (5-acetoxy-6-nitro-benzo[e]pyren-4-yl) acetate CAS Name: acetic acid (5-acetyloxy-6-nitro-4-benzo[e]pyrenyl) ester IUPAC Name: (5-acetyloxy-6-nitrobenzo[e]pyren-4-yl) acetate Traditional Name: acetic acid (5-acetoxy-6-nitro-benzo[e]pyren-4-yl) ester Formula: C24H15NO6 MolecularWeight: 413.379

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C2=C(C=CC3=C2C4=C(C=CC=C41)C5=CC=CC=C35)[N+](=O)[O-])OC(=O)C

Isomeric SMILES

CC(=O)OC1=C(C2=C(C=CC3=C2C4=C(C=CC=C41)C5=CC=CC=C35)[N+](=O)[O-])OC(=O)C

InChI

InChI=1S/C24H15NO6/c1-12(26)30-23-18-9-5-8-16-14-6-3-4-7-15(14)17-10-11-19(25(28)29)22(21(17)20(16)18)24(23)31-13(2)27/h3-11H,1-2H3