(9R,10R)-3-nitro-9,10-dihydrobenzo[a]pyrene-9,10-diol

Systemtic Name: (9R,10R)-3-nitro-9,10-dihydrobenzo[a]pyrene-9,10-diol Openeye Name: (9R,10R)-3-nitro-9,10-dihydrobenzo[a]pyrene-9,10-diol CAS Name: (9R,10R)-3-nitro-9,10-dihydrobenzo[a]pyrene-9,10-diol IUPAC Name: (9R,10R)-3-nitro-9,10-dihydrobenzo[a]pyrene-9,10-diol Traditional Name: (9R,10R)-3-nitro-9,10-dihydrobenzo[a]pyrene-9,10-diol Formula: C20H13NO4 MolecularWeight: 331.32152

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(C1O)O)C3=C4C(=C2)C=CC5=C(C=CC(=C54)C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC2=C([C@H]([C@@H]1O)O)C3=C4C(=C2)C=CC5=C(C=CC(=C54)C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H13NO4/c22-16-8-4-12-9-11-2-5-13-15(21(24)25)7-3-10-1-6-14(18(11)17(10)13)19(12)20(16)23/h1-9,16,20,22-23H/t16-,20+/m1/s1