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phenacyl 2-methyl-3,5-dinitro-benzoate

phenacyl 2-methyl-3,5-dinitro-benzoate

Systemtic Name:phenacyl 2-methyl-3,5-dinitro-benzoate
Openeye Name:phenacyl 2-methyl-3,5-dinitro-benzoate
CAS Name:2-methyl-3,5-dinitrobenzoic acid phenacyl ester
IUPAC Name:phenacyl 2-methyl-3,5-dinitrobenzoate
Traditional Name:2-methyl-3,5-dinitro-benzoic acid phenacyl ester
Formula: C16H12N2O7
MolecularWeight: 344.27568
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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1C(=O)OCC(=O)C2=CC=CC=C2)[N+](=O)[O-])[N+](=O)[O-]


Isomeric SMILES

CC1=C(C=C(C=C1C(=O)OCC(=O)C2=CC=CC=C2)[N+](=O)[O-])[N+](=O)[O-]


InChI

InChI=1S/C16H12N2O7/c1-10-13(7-12(17(21)22)8-14(10)18(23)24)16(20)25-9-15(19)11-5-3-2-4-6-11/h2-8H,9H2,1H3


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