O6-ethyl O1-methyl (E)-5-[(2-bromophenyl)methyl]-5-[(E)-C-methyl-N-phenylmethoxy-carbonimidoyl]hex-2-enedioate

Systemtic Name: O6-ethyl O1-methyl (E)-5-[(2-bromophenyl)methyl]-5-[(E)-C-methyl-N-phenylmethoxy-carbonimidoyl]hex-2-enedioate Openeye Name: O6-ethyl O1-methyl (E)-5-[(E)-N-benzyloxy-C-methyl-carbonimidoyl]-5-[(2-bromophenyl)methyl]hex-2-enedioate CAS Name: (E)-5-[(2-bromophenyl)methyl]-5-[(1E)-1-phenylmethoxyiminoethyl]-2-hexenedioic acid O6-ethyl ester O1-methyl ester IUPAC Name: 6-O-ethyl 1-O-methyl (E)-5-[(2-bromophenyl)methyl]-5-[(E)-C-methyl-N-phenylmethoxycarbonimidoyl]hex-2-enedioate Traditional Name: (E)-5-[(E)-N-benzoxy-C-methyl-carbonimidoyl]-5-(2-bromobenzyl)hex-2-enedioic acid O6-ethyl ester O1-methyl ester Formula: C25H28BrNO5 MolecularWeight: 502.39752

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC=CC(=O)OC)(CC1=CC=CC=C1Br)C(=NOCC2=CC=CC=C2)C

Isomeric SMILES

CCOC(=O)C(C/C=C/C(=O)OC)(CC1=CC=CC=C1Br)/C(=N/OCC2=CC=CC=C2)/C

InChI

InChI=1S/C25H28BrNO5/c1-4-31-24(29)25(16-10-15-23(28)30-3,17-21-13-8-9-14-22(21)26)19(2)27-32-18-20-11-6-5-7-12-20/h5-15H,4,16-18H2,1-3H3/b15-10+,27-19+