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

Systemtic Name: ethyl (4E)-3-methyl-4-(nitromethylidene)-3-oxidanyl-hexanoate Openeye Name: ethyl (4E)-3-hydroxy-3-methyl-4-(nitromethylene)hexanoate CAS Name: (4E)-3-hydroxy-3-methyl-4-(nitromethylidene)hexanoic acid ethyl ester IUPAC Name: ethyl (4E)-3-hydroxy-3-methyl-4-(nitromethylidene)hexanoate Traditional Name: (E)-4-ethyl-3-hydroxy-3-methyl-5-nitro-pent-4-enoic acid ethyl ester Formula: C10H17NO5 MolecularWeight: 231.24568

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H17NO5/c1-4-8(7-11(14)15)10(3,13)6-9(12)16-5-2/h7,13H,4-6H2,1-3H3/b8-7+