propan-2-yl (4E)-3-ethyl-4-(nitromethylidene)-3-oxidanyl-heptanoate

Systemtic Name: propan-2-yl (4E)-3-ethyl-4-(nitromethylidene)-3-oxidanyl-heptanoate Openeye Name: isopropyl (4E)-3-ethyl-3-hydroxy-4-(nitromethylene)heptanoate CAS Name: (4E)-3-ethyl-3-hydroxy-4-(nitromethylidene)heptanoic acid propan-2-yl ester IUPAC Name: propan-2-yl (4E)-3-ethyl-3-hydroxy-4-(nitromethylidene)heptanoate Traditional Name: (E)-3-ethyl-3-hydroxy-5-nitro-4-propyl-pent-4-enoic acid isopropyl ester Formula: C13H23NO5 MolecularWeight: 273.32542

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H23NO5/c1-5-7-11(9-14(17)18)13(16,6-2)8-12(15)19-10(3)4/h9-10,16H,5-8H2,1-4H3/b11-9+