3-[[3-(5-chloranyl-2-ethoxy-phenyl)-2-cyano-prop-2-enoyl]amino]benzoic acid

Systemtic Name: 3-[[3-(5-chloranyl-2-ethoxy-phenyl)-2-cyano-prop-2-enoyl]amino]benzoic acid Openeye Name: 3-[[3-(5-chloro-2-ethoxy-phenyl)-2-cyano-prop-2-enoyl]amino]benzoic acid CAS Name: 3-[[3-(5-chloro-2-ethoxyphenyl)-2-cyano-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 3-[[3-(5-chloro-2-ethoxyphenyl)-2-cyanoprop-2-enoyl]amino]benzoic acid Traditional Name: 3-[[3-(5-chloro-2-ethoxy-phenyl)-2-cyano-acryloyl]amino]benzoic acid Formula: C19H15ClN2O4 MolecularWeight: 370.7864

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Cl)C=C(C#N)C(=O)NC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

CCOC1=C(C=C(C=C1)Cl)C=C(C#N)C(=O)NC2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C19H15ClN2O4/c1-2-26-17-7-6-15(20)9-13(17)8-14(11-21)18(23)22-16-5-3-4-12(10-16)19(24)25/h3-10H,2H2,1H3,(H,22,23)(H,24,25)