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

Systemtic Name: 2-[[(E)-3-(3-chloranyl-5-methoxy-4-prop-2-ynoxy-phenyl)-2-cyano-prop-2-enoyl]amino]benzoic acid Openeye Name: 2-[[(E)-3-(3-chloro-5-methoxy-4-prop-2-ynoxy-phenyl)-2-cyano-prop-2-enoyl]amino]benzoic acid CAS Name: 2-[[(E)-3-(3-chloro-5-methoxy-4-prop-2-ynoxyphenyl)-2-cyano-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 2-[[(E)-3-(3-chloro-5-methoxy-4-prop-2-ynoxyphenyl)-2-cyanoprop-2-enoyl]amino]benzoic acid Traditional Name: 2-[[(E)-3-(3-chloro-5-methoxy-4-propargyloxy-phenyl)-2-cyano-acryloyl]amino]benzoic acid Formula: C21H15ClN2O5 MolecularWeight: 410.8072

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=C(C#N)C(=O)NC2=CC=CC=C2C(=O)O)Cl)OCC#C

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=C(\C#N)/C(=O)NC2=CC=CC=C2C(=O)O)Cl)OCC#C

InChI

InChI=1S/C21H15ClN2O5/c1-3-8-29-19-16(22)10-13(11-18(19)28-2)9-14(12-23)20(25)24-17-7-5-4-6-15(17)21(26)27/h1,4-7,9-11H,8H2,2H3,(H,24,25)(H,26,27)/b14-9+