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

Systemtic Name: (6-nitrobenzo[a]pyren-3-yl) ethanoate Openeye Name: (6-nitrobenzo[a]pyren-3-yl) acetate CAS Name: acetic acid (6-nitro-3-benzo[a]pyrenyl) ester IUPAC Name: (6-nitrobenzo[a]pyren-3-yl) acetate Traditional Name: acetic acid (6-nitrobenzo[a]pyren-3-yl) ester Formula: C22H13NO4 MolecularWeight: 355.34292

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C2C=CC3=C(C4=CC=CC=C4C5=C3C2=C(C=C5)C=C1)[N+](=O)[O-]

Isomeric SMILES

CC(=O)OC1=C2C=CC3=C(C4=CC=CC=C4C5=C3C2=C(C=C5)C=C1)[N+](=O)[O-]

InChI

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