[4-(2-nitrooxyethyl)phenyl]methyl 2-oxidanylidenepropanoate

Systemtic Name: [4-(2-nitrooxyethyl)phenyl]methyl 2-oxidanylidenepropanoate Openeye Name: [4-(2-nitrooxyethyl)phenyl]methyl 2-oxopropanoate CAS Name: 2-oxopropanoic acid [4-(2-nitrooxyethyl)phenyl]methyl ester IUPAC Name: [4-(2-nitrooxyethyl)phenyl]methyl 2-oxopropanoate Traditional Name: 2-ketopropionic acid [4-(2-nitrooxyethyl)benzyl] ester Formula: C12H13NO6 MolecularWeight: 267.23472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO6/c1-9(14)12(15)18-8-11-4-2-10(3-5-11)6-7-19-13(16)17/h2-5H,6-8H2,1H3