5-nitro-9,10,11,12-tetrahydrobenzo[e]pyrene

Systemtic Name: 5-nitro-9,10,11,12-tetrahydrobenzo[e]pyrene Openeye Name: 5-nitro-9,10,11,12-tetrahydrobenzo[e]pyrene CAS Name: 5-nitro-9,10,11,12-tetrahydrobenzo[e]pyrene IUPAC Name: 5-nitro-9,10,11,12-tetrahydrobenzo[e]pyrene Traditional Name: 5-nitro-9,10,11,12-tetrahydrobenzo[e]pyrene Formula: C20H15NO2 MolecularWeight: 301.3386

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C3=C4C(=CC=C3)C(=CC5=C4C2=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1CCC2=C(C1)C3=C4C(=CC=C3)C(=CC5=C4C2=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C20H15NO2/c22-21(23)18-11-12-5-3-8-15-13-6-1-2-7-14(13)16-9-4-10-17(18)20(16)19(12)15/h3-5,8-11H,1-2,6-7H2