ethyl 4-[[(E)-3-[5-(2-bromophenyl)furan-2-yl]-2-cyano-prop-2-enoyl]amino]benzoate

Systemtic Name: ethyl 4-[[(E)-3-[5-(2-bromophenyl)furan-2-yl]-2-cyano-prop-2-enoyl]amino]benzoate Openeye Name: ethyl 4-[[(E)-3-[5-(2-bromophenyl)-2-furyl]-2-cyano-prop-2-enoyl]amino]benzoate CAS Name: 4-[[(E)-3-[5-(2-bromophenyl)-2-furanyl]-2-cyano-1-oxoprop-2-enyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(E)-3-[5-(2-bromophenyl)furan-2-yl]-2-cyanoprop-2-enoyl]amino]benzoate Traditional Name: 4-[[(E)-3-[5-(2-bromophenyl)-2-furyl]-2-cyano-acryloyl]amino]benzoic acid ethyl ester Formula: C23H17BrN2O4 MolecularWeight: 465.29608

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C(=CC2=CC=C(O2)C3=CC=CC=C3Br)C#N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)/C(=C/C2=CC=C(O2)C3=CC=CC=C3Br)/C#N

InChI

InChI=1S/C23H17BrN2O4/c1-2-29-23(28)15-7-9-17(10-8-15)26-22(27)16(14-25)13-18-11-12-21(30-18)19-5-3-4-6-20(19)24/h3-13H,2H2,1H3,(H,26,27)/b16-13+