dimethyl 2-[(1R)-1-(4-butoxyphenyl)-2-nitro-ethyl]propanedioate

Systemtic Name: dimethyl 2-[(1R)-1-(4-butoxyphenyl)-2-nitro-ethyl]propanedioate Openeye Name: dimethyl 2-[(1R)-1-(4-butoxyphenyl)-2-nitro-ethyl]propanedioate CAS Name: 2-[(1R)-1-(4-butoxyphenyl)-2-nitroethyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[(1R)-1-(4-butoxyphenyl)-2-nitroethyl]propanedioate Traditional Name: 2-[(1R)-1-(4-butoxyphenyl)-2-nitro-ethyl]malonic acid dimethyl ester Formula: C17H23NO7 MolecularWeight: 353.36702

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(C[N+](=O)[O-])C(C(=O)OC)C(=O)OC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)[C@H](C[N+](=O)[O-])C(C(=O)OC)C(=O)OC

InChI

InChI=1S/C17H23NO7/c1-4-5-10-25-13-8-6-12(7-9-13)14(11-18(21)22)15(16(19)23-2)17(20)24-3/h6-9,14-15H,4-5,10-11H2,1-3H3/t14-/m0/s1