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3-nitrobenzo[e]pyrene

3-nitrobenzo[e]pyrene

Systemtic Name:3-nitrobenzo[e]pyrene
Openeye Name:3-nitrobenzo[e]pyrene
CAS Name:3-nitrobenzo[e]pyrene
IUPAC Name:3-nitrobenzo[e]pyrene
Traditional Name:3-nitrobenzo[e]pyrene
Formula: C20H11NO2
MolecularWeight: 297.30684
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=C4C(=C(C=C3)[N+](=O)[O-])C=CC5=C4C2=CC=C5


Isomeric SMILES

C1=CC=C2C(=C1)C3=C4C(=C(C=C3)[N+](=O)[O-])C=CC5=C4C2=CC=C5


InChI

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


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