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1-nitrobenzo[a]pyren-6-ol

1-nitrobenzo[a]pyren-6-ol

Systemtic Name:1-nitrobenzo[a]pyren-6-ol
Openeye Name:1-nitrobenzo[a]pyren-6-ol
CAS Name:1-nitro-6-benzo[a]pyrenol
IUPAC Name:1-nitrobenzo[a]pyren-6-ol
Traditional Name:1-nitrobenzo[a]pyren-6-ol
Formula: C20H11NO3
MolecularWeight: 313.30624
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=C4C(=C2O)C=CC5=C4C(=C(C=C5)[N+](=O)[O-])C=C3


Isomeric SMILES

C1=CC=C2C(=C1)C3=C4C(=C2O)C=CC5=C4C(=C(C=C5)[N+](=O)[O-])C=C3


InChI

InChI=1S/C20H11NO3/c22-20-14-4-2-1-3-12(14)13-8-9-15-17(21(23)24)10-6-11-5-7-16(20)19(13)18(11)15/h1-10,22H


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