[3,5-bis(nitrooxymethyl)phenyl]methyl 2-oxidanylidenepropanoate

Systemtic Name: [3,5-bis(nitrooxymethyl)phenyl]methyl 2-oxidanylidenepropanoate Openeye Name: [3,5-bis(nitrooxymethyl)phenyl]methyl 2-oxopropanoate CAS Name: 2-oxopropanoic acid [3,5-bis(nitrooxymethyl)phenyl]methyl ester IUPAC Name: [3,5-bis(nitrooxymethyl)phenyl]methyl 2-oxopropanoate Traditional Name: 2-ketopropionic acid [3,5-bis(nitrooxymethyl)benzyl] ester Formula: C12H12N2O9 MolecularWeight: 328.23168

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=O)OCC1=CC(=CC(=C1)CO[N+](=O)[O-])CO[N+](=O)[O-]

Isomeric SMILES

CC(=O)C(=O)OCC1=CC(=CC(=C1)CO[N+](=O)[O-])CO[N+](=O)[O-]

InChI

InChI=1S/C12H12N2O9/c1-8(15)12(16)21-5-9-2-10(6-22-13(17)18)4-11(3-9)7-23-14(19)20/h2-4H,5-7H2,1H3