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

Systemtic Name: butyl 4-[[3-(3-bromanyl-4-methoxy-phenyl)-2-cyano-prop-2-enoyl]amino]benzoate Openeye Name: butyl 4-[[3-(3-bromo-4-methoxy-phenyl)-2-cyano-prop-2-enoyl]amino]benzoate CAS Name: 4-[[3-(3-bromo-4-methoxyphenyl)-2-cyano-1-oxoprop-2-enyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[3-(3-bromo-4-methoxyphenyl)-2-cyanoprop-2-enoyl]amino]benzoate Traditional Name: 4-[[3-(3-bromo-4-methoxy-phenyl)-2-cyano-acryloyl]amino]benzoic acid butyl ester Formula: C22H21BrN2O4 MolecularWeight: 457.31714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21BrN2O4/c1-3-4-11-29-22(27)16-6-8-18(9-7-16)25-21(26)17(14-24)12-15-5-10-20(28-2)19(23)13-15/h5-10,12-13H,3-4,11H2,1-2H3,(H,25,26)