[2-(hydroxymethyl)-3-(2-nitrophenyl)propyl] ethanoate

Systemtic Name: [2-(hydroxymethyl)-3-(2-nitrophenyl)propyl] ethanoate Openeye Name: [2-(hydroxymethyl)-3-(2-nitrophenyl)propyl] acetate CAS Name: acetic acid [2-(hydroxymethyl)-3-(2-nitrophenyl)propyl] ester IUPAC Name: [2-(hydroxymethyl)-3-(2-nitrophenyl)propyl] acetate Traditional Name: acetic acid [2-methylol-3-(2-nitrophenyl)propyl] ester Formula: C12H15NO5 MolecularWeight: 253.2512

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC(CC1=CC=CC=C1[N+](=O)[O-])CO

Isomeric SMILES

CC(=O)OCC(CC1=CC=CC=C1[N+](=O)[O-])CO

InChI

InChI=1S/C12H15NO5/c1-9(15)18-8-10(7-14)6-11-4-2-3-5-12(11)13(16)17/h2-5,10,14H,6-8H2,1H3