3-[[2-cyano-3-(4-prop-2-enoxyphenyl)prop-2-enoyl]amino]benzoic acid

Systemtic Name: 3-[[2-cyano-3-(4-prop-2-enoxyphenyl)prop-2-enoyl]amino]benzoic acid Openeye Name: 3-[[3-(4-allyloxyphenyl)-2-cyano-prop-2-enoyl]amino]benzoic acid CAS Name: 3-[[2-cyano-1-oxo-3-(4-prop-2-enoxyphenyl)prop-2-enyl]amino]benzoic acid IUPAC Name: 3-[[2-cyano-3-(4-prop-2-enoxyphenyl)prop-2-enoyl]amino]benzoic acid Traditional Name: 3-[[3-(4-allyloxyphenyl)-2-cyano-acryloyl]amino]benzoic acid Formula: C20H16N2O4 MolecularWeight: 348.35204

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16N2O4/c1-2-10-26-18-8-6-14(7-9-18)11-16(13-21)19(23)22-17-5-3-4-15(12-17)20(24)25/h2-9,11-12H,1,10H2,(H,22,23)(H,24,25)