1-nitro-7,8,9,10-tetrahydrobenzo[a]pyrene

Systemtic Name: 1-nitro-7,8,9,10-tetrahydrobenzo[a]pyrene Openeye Name: 1-nitro-7,8,9,10-tetrahydrobenzo[a]pyrene CAS Name: 1-nitro-7,8,9,10-tetrahydrobenzo[a]pyrene IUPAC Name: 1-nitro-7,8,9,10-tetrahydrobenzo[a]pyrene Traditional Name: 1-nitro-7,8,9,10-tetrahydrobenzo[a]pyrene Formula: C20H15NO2 MolecularWeight: 301.3386

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=C3C=CC4=C5C3=C2C=CC5=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCC2=C(C1)C=C3C=CC4=C5C3=C2C=CC5=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H15NO2/c22-21(23)18-10-7-12-5-6-14-11-13-3-1-2-4-15(13)16-8-9-17(18)19(12)20(14)16/h5-11H,1-4H2