(3-nitrobenzo[a]pyren-7-yl) ethanoate

Systemtic Name: (3-nitrobenzo[a]pyren-7-yl) ethanoate Openeye Name: (3-nitrobenzo[a]pyren-7-yl) acetate CAS Name: acetic acid (3-nitro-7-benzo[a]pyrenyl) ester IUPAC Name: (3-nitrobenzo[a]pyren-7-yl) acetate Traditional Name: acetic acid (3-nitrobenzo[a]pyren-7-yl) ester Formula: C22H13NO4 MolecularWeight: 355.34292

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=CC2=C1C=C3C=CC4=C(C=CC5=C4C3=C2C=C5)[N+](=O)[O-]

Isomeric SMILES

CC(=O)OC1=CC=CC2=C1C=C3C=CC4=C(C=CC5=C4C3=C2C=C5)[N+](=O)[O-]

InChI

InChI=1S/C22H13NO4/c1-12(24)27-20-4-2-3-15-16-8-5-13-7-10-19(23(25)26)17-9-6-14(11-18(15)20)22(16)21(13)17/h2-11H,1H3