dimethyl 2-[(1E)-1-[(2-bromophenyl)-diethoxyphosphoryl-methyl]imino-2-methyl-propan-2-yl]propanedioate

Systemtic Name: dimethyl 2-[(1E)-1-[(2-bromophenyl)-diethoxyphosphoryl-methyl]imino-2-methyl-propan-2-yl]propanedioate Openeye Name: dimethyl 2-[(2E)-2-[(2-bromophenyl)-diethoxyphosphoryl-methyl]imino-1,1-dimethyl-ethyl]propanedioate CAS Name: 2-[(1E)-1-[(2-bromophenyl)-diethoxyphosphorylmethyl]imino-2-methylpropan-2-yl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[(1E)-1-[(2-bromophenyl)-diethoxyphosphorylmethyl]imino-2-methylpropan-2-yl]propanedioate Traditional Name: 2-[(2E)-2-[(2-bromophenyl)-diethoxyphosphoryl-methyl]imino-1,1-dimethyl-ethyl]malonic acid dimethyl ester Formula: C20H29BrNO7P MolecularWeight: 506.324521

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C(C1=CC=CC=C1Br)N=CC(C)(C)C(C(=O)OC)C(=O)OC)OCC

Isomeric SMILES

CCOP(=O)(C(C1=CC=CC=C1Br)/N=C/C(C)(C)C(C(=O)OC)C(=O)OC)OCC

InChI

InChI=1S/C20H29BrNO7P/c1-7-28-30(25,29-8-2)17(14-11-9-10-12-15(14)21)22-13-20(3,4)16(18(23)26-5)19(24)27-6/h9-13,16-17H,7-8H2,1-6H3/b22-13+