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1-nitrobenzo[a]pyrene

1-nitrobenzo[a]pyrene

Systemtic Name:1-nitrobenzo[a]pyrene
Openeye Name:1-nitrobenzo[a]pyrene
CAS Name:1-nitrobenzo[a]pyrene
IUPAC Name:1-nitrobenzo[a]pyrene
Traditional Name:1-nitrobenzo[a]pyrene
Formula: C20H11NO2
MolecularWeight: 297.30684
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C3=C4C(=CC2=C1)C=CC5=C4C(=C(C=C5)[N+](=O)[O-])C=C3


Isomeric SMILES

C1=CC=C2C3=C4C(=CC2=C1)C=CC5=C4C(=C(C=C5)[N+](=O)[O-])C=C3


InChI

InChI=1S/C20H11NO2/c22-21(23)18-10-7-12-5-6-14-11-13-3-1-2-4-15(13)16-8-9-17(18)19(12)20(14)16/h1-11H


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