4-[[(E)-3-(3-chloranyl-5-methoxy-4-prop-2-ynoxy-phenyl)-2-cyano-prop-2-enoyl]amino]benzoate

Systemtic Name: 4-[[(E)-3-(3-chloranyl-5-methoxy-4-prop-2-ynoxy-phenyl)-2-cyano-prop-2-enoyl]amino]benzoate Openeye Name: 4-[[(E)-3-(3-chloro-5-methoxy-4-prop-2-ynoxy-phenyl)-2-cyano-prop-2-enoyl]amino]benzoate CAS Name: 4-[[(E)-3-(3-chloro-5-methoxy-4-prop-2-ynoxyphenyl)-2-cyano-1-oxoprop-2-enyl]amino]benzoate IUPAC Name: 4-[[(E)-3-(3-chloro-5-methoxy-4-prop-2-ynoxyphenyl)-2-cyanoprop-2-enoyl]amino]benzoate Traditional Name: 4-[[(E)-3-(3-chloro-5-methoxy-4-propargyloxy-phenyl)-2-cyano-acryloyl]amino]benzoate Formula: C21H14ClN2O5- MolecularWeight: 409.79926

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=C(C#N)C(=O)NC2=CC=C(C=C2)C(=O)[O-])Cl)OCC#C

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=C(\C#N)/C(=O)NC2=CC=C(C=C2)C(=O)[O-])Cl)OCC#C

InChI

InChI=1S/C21H15ClN2O5/c1-3-8-29-19-17(22)10-13(11-18(19)28-2)9-15(12-23)20(25)24-16-6-4-14(5-7-16)21(26)27/h1,4-7,9-11H,8H2,2H3,(H,24,25)(H,26,27)/p-1/b15-9+