ethyl (4E)-3-ethyl-4-(nitromethylidene)-3-oxidanyl-heptanoate

Systemtic Name: ethyl (4E)-3-ethyl-4-(nitromethylidene)-3-oxidanyl-heptanoate Openeye Name: ethyl (4E)-3-ethyl-3-hydroxy-4-(nitromethylene)heptanoate CAS Name: (4E)-3-ethyl-3-hydroxy-4-(nitromethylidene)heptanoic acid ethyl ester IUPAC Name: ethyl (4E)-3-ethyl-3-hydroxy-4-(nitromethylidene)heptanoate Traditional Name: (E)-3-ethyl-3-hydroxy-5-nitro-4-propyl-pent-4-enoic acid ethyl ester Formula: C12H21NO5 MolecularWeight: 259.29884

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H21NO5/c1-4-7-10(9-13(16)17)12(15,5-2)8-11(14)18-6-3/h9,15H,4-8H2,1-3H3/b10-9+