ethyl (E)-3-(5-bromanyl-2,3-dimethoxy-phenyl)-2-[(triphenyl-$l^{5}-phosphanylidene)amino]prop-2-enoate

Systemtic Name: ethyl (E)-3-(5-bromanyl-2,3-dimethoxy-phenyl)-2-[(triphenyl-$l^{5}-phosphanylidene)amino]prop-2-enoate Openeye Name: ethyl (E)-3-(5-bromo-2,3-dimethoxy-phenyl)-2-[(triphenyl-$l^{5}-phosphanylidene)amino]prop-2-enoate CAS Name: (E)-3-(5-bromo-2,3-dimethoxyphenyl)-2-(triphenylphosphoranylideneamino)-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-(5-bromo-2,3-dimethoxyphenyl)-2-[(triphenyl-$l^{5}-phosphanylidene)amino]prop-2-enoate Traditional Name: (E)-3-(5-bromo-2,3-dimethoxy-phenyl)-2-(triphenylphosphoranylideneamino)acrylic acid ethyl ester Formula: C31H29BrNO4P MolecularWeight: 590.444021

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC1=CC(=CC(=C1OC)OC)Br)N=P(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)/C(=C\C1=CC(=CC(=C1OC)OC)Br)/N=P(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C31H29BrNO4P/c1-4-37-31(34)28(21-23-20-24(32)22-29(35-2)30(23)36-3)33-38(25-14-8-5-9-15-25,26-16-10-6-11-17-26)27-18-12-7-13-19-27/h5-22H,4H2,1-3H3/b28-21+