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

Systemtic Name: 6-nitro-9,10-dihydrobenzo[a]pyrene Openeye Name: 6-nitro-9,10-dihydrobenzo[a]pyrene CAS Name: 6-nitro-9,10-dihydrobenzo[a]pyrene IUPAC Name: 6-nitro-9,10-dihydrobenzo[a]pyrene Traditional Name: 6-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=CC=CC5=C4C3=C2C=C5)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C20H13NO2/c22-21(23)20-16-7-2-1-6-14(16)15-10-8-12-4-3-5-13-9-11-17(20)19(15)18(12)13/h2-5,7-11H,1,6H2