ethyl 4-[[(E)-3-(3-bromanyl-4-methoxy-phenyl)-2-cyano-prop-2-enoyl]amino]benzoate

Systemtic Name: ethyl 4-[[(E)-3-(3-bromanyl-4-methoxy-phenyl)-2-cyano-prop-2-enoyl]amino]benzoate Openeye Name: ethyl 4-[[(E)-3-(3-bromo-4-methoxy-phenyl)-2-cyano-prop-2-enoyl]amino]benzoate CAS Name: 4-[[(E)-3-(3-bromo-4-methoxyphenyl)-2-cyano-1-oxoprop-2-enyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(E)-3-(3-bromo-4-methoxyphenyl)-2-cyanoprop-2-enoyl]amino]benzoate Traditional Name: 4-[[(E)-3-(3-bromo-4-methoxy-phenyl)-2-cyano-acryloyl]amino]benzoic acid ethyl ester Formula: C20H17BrN2O4 MolecularWeight: 429.26398

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C(=CC2=CC(=C(C=C2)OC)Br)C#N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)/C(=C/C2=CC(=C(C=C2)OC)Br)/C#N

InChI

InChI=1S/C20H17BrN2O4/c1-3-27-20(25)14-5-7-16(8-6-14)23-19(24)15(12-22)10-13-4-9-18(26-2)17(21)11-13/h4-11H,3H2,1-2H3,(H,23,24)/b15-10+