diethyl (E)-5-[(4-bromophenyl)methyl]-5-nitro-hex-2-enedioate

Systemtic Name: diethyl (E)-5-[(4-bromophenyl)methyl]-5-nitro-hex-2-enedioate Openeye Name: diethyl (E)-5-[(4-bromophenyl)methyl]-5-nitro-hex-2-enedioate CAS Name: (E)-5-[(4-bromophenyl)methyl]-5-nitro-2-hexenedioic acid diethyl ester IUPAC Name: diethyl (E)-5-[(4-bromophenyl)methyl]-5-nitrohex-2-enedioate Traditional Name: (E)-5-(4-bromobenzyl)-5-nitro-hex-2-enedioic acid diethyl ester Formula: C17H20BrNO6 MolecularWeight: 414.2478

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CCC(CC1=CC=C(C=C1)Br)(C(=O)OCC)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)/C=C/CC(CC1=CC=C(C=C1)Br)(C(=O)OCC)[N+](=O)[O-]

InChI

InChI=1S/C17H20BrNO6/c1-3-24-15(20)6-5-11-17(19(22)23,16(21)25-4-2)12-13-7-9-14(18)10-8-13/h5-10H,3-4,11-12H2,1-2H3/b6-5+