methyl (E,2S,5R)-2,6-dimethyl-5-nitro-hept-3-enoate

Systemtic Name: methyl (E,2S,5R)-2,6-dimethyl-5-nitro-hept-3-enoate Openeye Name: methyl (E,2S,5R)-2,6-dimethyl-5-nitro-hept-3-enoate CAS Name: (E,2S,5R)-2,6-dimethyl-5-nitro-3-heptenoic acid methyl ester IUPAC Name: methyl (E,2S,5R)-2,6-dimethyl-5-nitrohept-3-enoate Traditional Name: (E,2S,5R)-2,6-dimethyl-5-nitro-hept-3-enoic acid methyl ester Formula: C10H17NO4 MolecularWeight: 215.24628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H17NO4/c1-7(2)9(11(13)14)6-5-8(3)10(12)15-4/h5-9H,1-4H3/b6-5+/t8-,9-/m0/s1