methyl (E)-3-methyl-4-(nitromethyl)-3-oxidanyl-hex-4-enoate

Systemtic Name: methyl (E)-3-methyl-4-(nitromethyl)-3-oxidanyl-hex-4-enoate Openeye Name: methyl (E)-3-hydroxy-3-methyl-4-(nitromethyl)hex-4-enoate CAS Name: (E)-3-hydroxy-3-methyl-4-(nitromethyl)-4-hexenoic acid methyl ester IUPAC Name: methyl (E)-3-hydroxy-3-methyl-4-(nitromethyl)hex-4-enoate Traditional Name: (E)-3-hydroxy-3-methyl-4-(nitromethyl)hex-4-enoic acid methyl ester Formula: C9H15NO5 MolecularWeight: 217.2191

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H15NO5/c1-4-7(6-10(13)14)9(2,12)5-8(11)15-3/h4,12H,5-6H2,1-3H3/b7-4+