3-(Nitroxymethyl)phenyl 2-acetoxybenzoate
[3-(nitrooxymethyl)phenyl] 2-acetyloxybenzoate
Molecular Identity
3-(Nitroxymethyl)phenyl 2-acetoxybenzoate
[3-(nitrooxymethyl)phenyl] 2-acetyloxybenzoate
PubChem CID: 119032
2-acetyloxybenzoic acid [3-(nitrooxymethyl)phenyl] ester is a carbonyl compound.
2D Structure
Properties
C16H13NO7
Molecular Formula
331.28
Molecular Weight
g/mol
331.0692
Exact Mass
Da
2.9
XLogP
Drug-like (Lipinski: < 5)
108
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
7
H-Bond Acceptors
462
Complexity
SMILES
Canonical SMILES
SMILES: CC(=O)OC1=CC=CC=C1C(=O)OC2=CC=CC(=C2)CO[N+](=O)[O-]Isomeric SMILES
SMILES: CC(=O)OC1=CC=CC=C1C(=O)OC2=CC=CC(=C2)CO[N+](=O)[O-]Synonyms(20)
nitroaspirin175033-36-0Ncx-4016[3-(nitrooxymethyl)phenyl] 2-acetyloxybenzoate3-(Nitroxymethyl)phenyl 2-acetoxybenzoatenitric oxide-releasing aspirin2-Acetoxybenzoate-2-(1-nitroxymethyl)phenyl esterEH04H13L6B(3-(nitrooxymethyl)phenyl) 2-acetyloxybenzoateRefChem:854316NO-ASA3-((Nitrooxy)methyl)phenyl 2-(acetyloxy)benzoate3-[(NITROOXY)METHYL]PHENYL 2-(ACETYLOXY)BENZOATEBenzoic acid, 2-(acetyloxy)-, 3-((nitrooxy)methyl)phenyl esterBenzoic acid, 2-(acetyloxy)-, 3-[(nitrooxy)methyl]phenyl ester
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to 3-(Nitroxymethyl)phenyl 2-acetoxybenzoate
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