ethyl 3-methyl-4-(nitromethyl)-3-oxidanyl-pent-4-enoate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H15NO5/c1-4-15-8(11)5-9(3,12)7(2)6-10(13)14/h12H,2,4-6H2,1,3H3