1,6-dinitro-1,2,3,12b-tetrahydrobenzo[e]pyrene

Systemtic Name: 1,6-dinitro-1,2,3,12b-tetrahydrobenzo[e]pyrene Openeye Name: 1,6-dinitro-1,2,3,12b-tetrahydrobenzo[e]pyrene CAS Name: 1,6-dinitro-1,2,3,12b-tetrahydrobenzo[e]pyrene IUPAC Name: 1,6-dinitro-1,2,3,12b-tetrahydrobenzo[e]pyrene Traditional Name: 1,6-dinitro-1,2,3,12b-tetrahydrobenzo[e]pyrene Formula: C20H14N2O4 MolecularWeight: 346.33616

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C3C(C1[N+](=O)[O-])C4=CC=CC=C4C5=C3C(=C(C=C5)[N+](=O)[O-])C=C2

Isomeric SMILES

C1CC2=C3C(C1[N+](=O)[O-])C4=CC=CC=C4C5=C3C(=C(C=C5)[N+](=O)[O-])C=C2

InChI

InChI=1S/C20H14N2O4/c23-21(24)16-10-8-14-12-3-1-2-4-13(12)20-17(22(25)26)9-6-11-5-7-15(16)19(14)18(11)20/h1-5,7-8,10,17,20H,6,9H2