3-nitro-9,10-dihydrobenzo[a]pyrene

Systemtic Name: 3-nitro-9,10-dihydrobenzo[a]pyrene Openeye Name: 3-nitro-9,10-dihydrobenzo[a]pyrene CAS Name: 3-nitro-9,10-dihydrobenzo[a]pyrene IUPAC Name: 3-nitro-9,10-dihydrobenzo[a]pyrene Traditional Name: 3-nitro-9,10-dihydrobenzo[a]pyrene Formula: C20H13NO2 MolecularWeight: 299.32272

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=C1)C=C3C=CC4=C(C=CC5=C4C3=C2C=C5)[N+](=O)[O-]

Isomeric SMILES

C1CC2=C(C=C1)C=C3C=CC4=C(C=CC5=C4C3=C2C=C5)[N+](=O)[O-]

InChI

InChI=1S/C20H13NO2/c22-21(23)18-10-7-12-5-8-16-15-4-2-1-3-13(15)11-14-6-9-17(18)19(12)20(14)16/h1,3,5-11H,2,4H2