[4-[(E)-2-cyano-3-oxidanylidene-3-(prop-2-enylamino)prop-1-enyl]-2-methoxy-phenyl] 2-(3-bromanylphenoxy)propanoate

Systemtic Name: [4-[(E)-2-cyano-3-oxidanylidene-3-(prop-2-enylamino)prop-1-enyl]-2-methoxy-phenyl] 2-(3-bromanylphenoxy)propanoate Openeye Name: [4-[(E)-3-(allylamino)-2-cyano-3-oxo-prop-1-enyl]-2-methoxy-phenyl] 2-(3-bromophenoxy)propanoate CAS Name: 2-(3-bromophenoxy)propanoic acid [4-[(E)-2-cyano-3-oxo-3-(prop-2-enylamino)prop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-oxo-3-(prop-2-enylamino)prop-1-enyl]-2-methoxyphenyl] 2-(3-bromophenoxy)propanoate Traditional Name: 2-(3-bromophenoxy)propionic acid [4-[(E)-3-(allylamino)-2-cyano-3-keto-prop-1-enyl]-2-methoxy-phenyl] ester Formula: C23H21BrN2O5 MolecularWeight: 485.32724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC1=C(C=C(C=C1)C=C(C#N)C(=O)NCC=C)OC)OC2=CC(=CC=C2)Br

Isomeric SMILES

CC(C(=O)OC1=C(C=C(C=C1)/C=C(\C#N)/C(=O)NCC=C)OC)OC2=CC(=CC=C2)Br

InChI

InChI=1S/C23H21BrN2O5/c1-4-10-26-22(27)17(14-25)11-16-8-9-20(21(12-16)29-3)31-23(28)15(2)30-19-7-5-6-18(24)13-19/h4-9,11-13,15H,1,10H2,2-3H3,(H,26,27)/b17-11+