2-nitro-4,5,7,8,9,10,11,12-octahydrobenzo[a]pyrene

Systemtic Name: 2-nitro-4,5,7,8,9,10,11,12-octahydrobenzo[a]pyrene Openeye Name: 2-nitro-4,5,7,8,9,10,11,12-octahydrobenzo[a]pyrene CAS Name: 2-nitro-4,5,7,8,9,10,11,12-octahydrobenzo[a]pyrene IUPAC Name: 2-nitro-4,5,7,8,9,10,11,12-octahydrobenzo[a]pyrene Traditional Name: 2-nitro-4,5,7,8,9,10,11,12-octahydrobenzo[a]pyrene Formula: C20H19NO2 MolecularWeight: 305.37036

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=C3CCC4=CC(=CC5=C4C3=C2CC5)[N+](=O)[O-]

Isomeric SMILES

C1CCC2=C(C1)C=C3CCC4=CC(=CC5=C4C3=C2CC5)[N+](=O)[O-]

InChI

InChI=1S/C20H19NO2/c22-21(23)16-10-14-6-5-13-9-12-3-1-2-4-17(12)18-8-7-15(11-16)19(14)20(13)18/h9-11H,1-8H2