1,8-dinitro-9,10,11,12-tetrahydrobenzo[e]pyrene

Systemtic Name: 1,8-dinitro-9,10,11,12-tetrahydrobenzo[e]pyrene Openeye Name: 1,8-dinitro-9,10,11,12-tetrahydrobenzo[e]pyrene CAS Name: 1,8-dinitro-9,10,11,12-tetrahydrobenzo[e]pyrene IUPAC Name: 1,8-dinitro-9,10,11,12-tetrahydrobenzo[e]pyrene Traditional Name: 1,8-dinitro-9,10,11,12-tetrahydrobenzo[e]pyrene Formula: C20H14N2O4 MolecularWeight: 346.33616

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C3=C(C=CC4=C3C5=C(C=C4)C=CC(=C25)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CCC2=C(C1)C3=C(C=CC4=C3C5=C(C=C4)C=CC(=C25)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C20H14N2O4/c23-21(24)15-9-7-11-5-6-12-8-10-16(22(25)26)20-14-4-2-1-3-13(14)19(15)17(11)18(12)20/h5-10H,1-4H2