1-nitro-9,10-dihydrobenzo[a]pyrene-9,10-diol

Systemtic Name: 1-nitro-9,10-dihydrobenzo[a]pyrene-9,10-diol Openeye Name: 1-nitro-9,10-dihydrobenzo[a]pyrene-9,10-diol CAS Name: 1-nitro-9,10-dihydrobenzo[a]pyrene-9,10-diol IUPAC Name: 1-nitro-9,10-dihydrobenzo[a]pyrene-9,10-diol Traditional Name: 1-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=C4C(=C(C=C5)[N+](=O)[O-])C=C3

Isomeric SMILES

C1=CC2=C(C(C1O)O)C3=C4C(=C2)C=CC5=C4C(=C(C=C5)[N+](=O)[O-])C=C3

InChI

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