methyl 3-(nitromethyl)-4-phenylmethoxy-pentanoate

Systemtic Name: methyl 3-(nitromethyl)-4-phenylmethoxy-pentanoate Openeye Name: methyl 4-benzyloxy-3-(nitromethyl)pentanoate CAS Name: 3-(nitromethyl)-4-phenylmethoxypentanoic acid methyl ester IUPAC Name: methyl 3-(nitromethyl)-4-phenylmethoxypentanoate Traditional Name: 4-benzoxy-3-(nitromethyl)valeric acid methyl ester Formula: C14H19NO5 MolecularWeight: 281.30436

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19NO5/c1-11(20-10-12-6-4-3-5-7-12)13(9-15(17)18)8-14(16)19-2/h3-7,11,13H,8-10H2,1-2H3