diethyl 2-[1-(4-bromophenyl)-2-nitro-ethyl]-2-(3-methylbut-2-enyl)propanedioate

Systemtic Name: diethyl 2-[1-(4-bromophenyl)-2-nitro-ethyl]-2-(3-methylbut-2-enyl)propanedioate Openeye Name: diethyl 2-[1-(4-bromophenyl)-2-nitro-ethyl]-2-(3-methylbut-2-enyl)propanedioate CAS Name: 2-[1-(4-bromophenyl)-2-nitroethyl]-2-(3-methylbut-2-enyl)propanedioic acid diethyl ester IUPAC Name: diethyl 2-[1-(4-bromophenyl)-2-nitroethyl]-2-(3-methylbut-2-enyl)propanedioate Traditional Name: 2-[1-(4-bromophenyl)-2-nitro-ethyl]-2-(3-methylbut-2-enyl)malonic acid diethyl ester Formula: C20H26BrNO6 MolecularWeight: 456.32754

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC=C(C)C)(C(C[N+](=O)[O-])C1=CC=C(C=C1)Br)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(CC=C(C)C)(C(C[N+](=O)[O-])C1=CC=C(C=C1)Br)C(=O)OCC

InChI

InChI=1S/C20H26BrNO6/c1-5-27-18(23)20(12-11-14(3)4,19(24)28-6-2)17(13-22(25)26)15-7-9-16(21)10-8-15/h7-11,17H,5-6,12-13H2,1-4H3