propan-2-yl (4E)-3-methyl-4-(nitromethylidene)-3-oxidanyl-hexanoate

Systemtic Name: propan-2-yl (4E)-3-methyl-4-(nitromethylidene)-3-oxidanyl-hexanoate Openeye Name: isopropyl (4E)-3-hydroxy-3-methyl-4-(nitromethylene)hexanoate CAS Name: (4E)-3-hydroxy-3-methyl-4-(nitromethylidene)hexanoic acid propan-2-yl ester IUPAC Name: propan-2-yl (4E)-3-hydroxy-3-methyl-4-(nitromethylidene)hexanoate Traditional Name: (E)-4-ethyl-3-hydroxy-3-methyl-5-nitro-pent-4-enoic acid isopropyl ester Formula: C11H19NO5 MolecularWeight: 245.27226

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H19NO5/c1-5-9(7-12(15)16)11(4,14)6-10(13)17-8(2)3/h7-8,14H,5-6H2,1-4H3/b9-7+