dimethyl 2-[(3R,4R)-3-methanoyl-4-nitro-hexyl]-2-prop-2-enyl-propanedioate

Systemtic Name: dimethyl 2-[(3R,4R)-3-methanoyl-4-nitro-hexyl]-2-prop-2-enyl-propanedioate Openeye Name: dimethyl 2-allyl-2-[(3R,4R)-3-formyl-4-nitro-hexyl]propanedioate CAS Name: 2-[(3R,4R)-3-formyl-4-nitrohexyl]-2-prop-2-enylpropanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[(3R,4R)-3-formyl-4-nitrohexyl]-2-prop-2-enylpropanedioate Traditional Name: 2-allyl-2-[(3R,4R)-3-formyl-4-nitro-hexyl]malonic acid dimethyl ester Formula: C15H23NO7 MolecularWeight: 329.34562

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H23NO7/c1-5-8-15(13(18)22-3,14(19)23-4)9-7-11(10-17)12(6-2)16(20)21/h5,10-12H,1,6-9H2,2-4H3/t11-,12+/m0/s1