propan-2-yl (E)-3-ethyl-4-methyl-5-nitro-3-oxidanyl-pent-4-enoate

Systemtic Name: propan-2-yl (E)-3-ethyl-4-methyl-5-nitro-3-oxidanyl-pent-4-enoate Openeye Name: isopropyl (E)-3-ethyl-3-hydroxy-4-methyl-5-nitro-pent-4-enoate CAS Name: (E)-3-ethyl-3-hydroxy-4-methyl-5-nitro-4-pentenoic acid propan-2-yl ester IUPAC Name: propan-2-yl (E)-3-ethyl-3-hydroxy-4-methyl-5-nitropent-4-enoate Traditional Name: (E)-3-ethyl-3-hydroxy-4-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(CC(=O)OC(C)C)(C(=C[N+](=O)[O-])C)O

Isomeric SMILES

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

InChI

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