(4R,5R)-8-nitro-4,5-dihydrobenzo[l]pyrene-4,5-diol

Systemtic Name: (4R,5R)-8-nitro-4,5-dihydrobenzo[l]pyrene-4,5-diol Openeye Name: (4R,5R)-8-nitro-4,5-dihydrobenzo[l]pyrene-4,5-diol CAS Name: (4R,5R)-8-nitro-4,5-dihydrobenzo[l]pyrene-4,5-diol IUPAC Name: (4R,5R)-8-nitro-4,5-dihydrobenzo[l]pyrene-4,5-diol Traditional Name: (4R,5R)-8-nitro-4,5-dihydrobenzo[l]pyrene-4,5-diol Formula: C20H13NO4 MolecularWeight: 331.32152

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=C4C(=CC=C3)C(C(C5=C4C2=C(C=C5)[N+](=O)[O-])O)O

Isomeric SMILES

C1=CC=C2C(=C1)C3=C4C(=CC=C3)[C@H]([C@@H](C5=C4C2=C(C=C5)[N+](=O)[O-])O)O

InChI

InChI=1S/C20H13NO4/c22-19-13-7-3-6-11-10-4-1-2-5-12(10)17-15(21(24)25)9-8-14(20(19)23)18(17)16(11)13/h1-9,19-20,22-23H/t19-,20-/m1/s1