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1-nitropyrene-4,5-dione

1-nitropyrene-4,5-dione

Systemtic Name:1-nitropyrene-4,5-dione
Openeye Name:1-nitropyrene-4,5-dione
CAS Name:1-nitropyrene-4,5-dione
IUPAC Name:1-nitropyrene-4,5-dione
Traditional Name:1-nitropyrene-4,5-quinone
Formula: C16H7NO4
MolecularWeight: 277.23108
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C3C(=C1)C(=O)C(=O)C4=C3C(=C(C=C4)[N+](=O)[O-])C=C2


Isomeric SMILES

C1=CC2=C3C(=C1)C(=O)C(=O)C4=C3C(=C(C=C4)[N+](=O)[O-])C=C2


InChI

InChI=1S/C16H7NO4/c18-15-10-3-1-2-8-4-5-9-12(17(20)21)7-6-11(16(15)19)14(9)13(8)10/h1-7H


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