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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C2C3=CC=CC=C3C4=CC=CC5=C4C2=C(C1[N+](=O)[O-])C=C5)[N+](=O)[O-]

Isomeric SMILES

C1C(C2C3=CC=CC=C3C4=CC=CC5=C4C2=C(C1[N+](=O)[O-])C=C5)[N+](=O)[O-]

InChI

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