methyl (4E)-3-methyl-4-(nitromethylidene)-3-oxidanyl-hexanoate

Systemtic Name: methyl (4E)-3-methyl-4-(nitromethylidene)-3-oxidanyl-hexanoate Openeye Name: methyl (4E)-3-hydroxy-3-methyl-4-(nitromethylene)hexanoate CAS Name: (4E)-3-hydroxy-3-methyl-4-(nitromethylidene)hexanoic acid methyl ester IUPAC Name: methyl (4E)-3-hydroxy-3-methyl-4-(nitromethylidene)hexanoate Traditional Name: (E)-4-ethyl-3-hydroxy-3-methyl-5-nitro-pent-4-enoic acid methyl ester Formula: C9H15NO5 MolecularWeight: 217.2191

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H15NO5/c1-4-7(6-10(13)14)9(2,12)5-8(11)15-3/h6,12H,4-5H2,1-3H3/b7-6+