methyl (E,2S,5S)-2-methyl-5-nitro-hex-3-enoate

Systemtic Name: methyl (E,2S,5S)-2-methyl-5-nitro-hex-3-enoate Openeye Name: methyl (E,2S,5S)-2-methyl-5-nitro-hex-3-enoate CAS Name: (E,2S,5S)-2-methyl-5-nitro-3-hexenoic acid methyl ester IUPAC Name: methyl (E,2S,5S)-2-methyl-5-nitrohex-3-enoate Traditional Name: (E,2S,5S)-2-methyl-5-nitro-hex-3-enoic acid methyl ester Formula: C8H13NO4 MolecularWeight: 187.19312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@H](/C=C/[C@H](C)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C8H13NO4/c1-6(8(10)13-3)4-5-7(2)9(11)12/h4-7H,1-3H3/b5-4+/t6-,7-/m0/s1