1-nitro-7,8,9,10-tetrahydrobenzo[a]pyrene-7,8-diol

Systemtic Name: 1-nitro-7,8,9,10-tetrahydrobenzo[a]pyrene-7,8-diol Openeye Name: 1-nitro-7,8,9,10-tetrahydrobenzo[a]pyrene-7,8-diol CAS Name: 1-nitro-7,8,9,10-tetrahydrobenzo[a]pyrene-7,8-diol IUPAC Name: 1-nitro-7,8,9,10-tetrahydrobenzo[a]pyrene-7,8-diol Traditional Name: 1-nitro-7,8,9,10-tetrahydrobenzo[a]pyrene-7,8-diol Formula: C20H15NO4 MolecularWeight: 333.3374

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=C3C=CC4=C5C3=C2C=CC5=C(C=C4)[N+](=O)[O-])C(C1O)O

Isomeric SMILES

C1CC2=C(C=C3C=CC4=C5C3=C2C=CC5=C(C=C4)[N+](=O)[O-])C(C1O)O

InChI

InChI=1S/C20H15NO4/c22-17-8-6-12-13-4-5-14-16(21(24)25)7-3-10-1-2-11(19(13)18(10)14)9-15(12)20(17)23/h1-5,7,9,17,20,22-23H,6,8H2