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

Systemtic Name: 3-nitro-9,10,11,12-tetrahydrobenzo[e]pyrene Openeye Name: 3-nitro-9,10,11,12-tetrahydrobenzo[e]pyrene CAS Name: 3-nitro-9,10,11,12-tetrahydrobenzo[e]pyrene IUPAC Name: 3-nitro-9,10,11,12-tetrahydrobenzo[e]pyrene Traditional Name: 3-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(=C(C=C3)[N+](=O)[O-])C=CC5=C4C2=CC=C5

Isomeric SMILES

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

InChI

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