1,8-dinitro-1,2,3,12b-tetrahydrobenzo[e]pyrene

Systemtic Name: 1,8-dinitro-1,2,3,12b-tetrahydrobenzo[e]pyrene Openeye Name: 1,8-dinitro-1,2,3,12b-tetrahydrobenzo[e]pyrene CAS Name: 1,8-dinitro-1,2,3,12b-tetrahydrobenzo[e]pyrene IUPAC Name: 1,8-dinitro-1,2,3,12b-tetrahydrobenzo[e]pyrene Traditional Name: 1,8-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=C(C=CC(=C35)C=C2)[N+](=O)[O-]

Isomeric SMILES

C1CC2=C3C(C1[N+](=O)[O-])C4=CC=CC=C4C5=C(C=CC(=C35)C=C2)[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/h1-7,9,16,20H,8,10H2