methyl 4-methyl-4-nitro-6-oxidanyl-heptanoate

Systemtic Name: methyl 4-methyl-4-nitro-6-oxidanyl-heptanoate Openeye Name: methyl 6-hydroxy-4-methyl-4-nitro-heptanoate CAS Name: 6-hydroxy-4-methyl-4-nitroheptanoic acid methyl ester IUPAC Name: methyl 6-hydroxy-4-methyl-4-nitroheptanoate Traditional Name: 6-hydroxy-4-methyl-4-nitro-enanthic acid methyl ester Formula: C9H17NO5 MolecularWeight: 219.23498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H17NO5/c1-7(11)6-9(2,10(13)14)5-4-8(12)15-3/h7,11H,4-6H2,1-3H3