methyl 3-methyl-4-nitro-hexanoate

Systemtic Name: methyl 3-methyl-4-nitro-hexanoate Openeye Name: methyl 3-methyl-4-nitro-hexanoate CAS Name: 3-methyl-4-nitrohexanoic acid methyl ester IUPAC Name: methyl 3-methyl-4-nitrohexanoate Traditional Name: 3-methyl-4-nitro-hexanoic acid methyl ester Formula: C8H15NO4 MolecularWeight: 189.209

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H15NO4/c1-4-7(9(11)12)6(2)5-8(10)13-3/h6-7H,4-5H2,1-3H3