methyl 4-methyl-4-nitro-2-[oxidanyl(pyridin-2-yl)methyl]pentanoate

Systemtic Name: methyl 4-methyl-4-nitro-2-[oxidanyl(pyridin-2-yl)methyl]pentanoate Openeye Name: methyl 2-[hydroxy(2-pyridyl)methyl]-4-methyl-4-nitro-pentanoate CAS Name: 2-[hydroxy(2-pyridinyl)methyl]-4-methyl-4-nitropentanoic acid methyl ester IUPAC Name: methyl 2-[hydroxy(pyridin-2-yl)methyl]-4-methyl-4-nitropentanoate Traditional Name: 2-[hydroxy(2-pyridyl)methyl]-4-methyl-4-nitro-valeric acid methyl ester Formula: C13H18N2O5 MolecularWeight: 282.29242

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(C(C1=CC=CC=N1)O)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC(C)(CC(C(C1=CC=CC=N1)O)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C13H18N2O5/c1-13(2,15(18)19)8-9(12(17)20-3)11(16)10-6-4-5-7-14-10/h4-7,9,11,16H,8H2,1-3H3