2-[[(E)-2-cyano-3-(2-prop-2-ynoxyphenyl)prop-2-enoyl]amino]benzoic acid

Systemtic Name: 2-[[(E)-2-cyano-3-(2-prop-2-ynoxyphenyl)prop-2-enoyl]amino]benzoic acid Openeye Name: 2-[[(E)-2-cyano-3-(2-prop-2-ynoxyphenyl)prop-2-enoyl]amino]benzoic acid CAS Name: 2-[[(E)-2-cyano-1-oxo-3-(2-prop-2-ynoxyphenyl)prop-2-enyl]amino]benzoic acid IUPAC Name: 2-[[(E)-2-cyano-3-(2-prop-2-ynoxyphenyl)prop-2-enoyl]amino]benzoic acid Traditional Name: 2-[[(E)-2-cyano-3-(2-propargyloxyphenyl)acryloyl]amino]benzoic acid Formula: C20H14N2O4 MolecularWeight: 346.33616

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Descriptors Computed from Structure

Canonical SMILES:

C#CCOC1=CC=CC=C1C=C(C#N)C(=O)NC2=CC=CC=C2C(=O)O

Isomeric SMILES

C#CCOC1=CC=CC=C1/C=C(\C#N)/C(=O)NC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C20H14N2O4/c1-2-11-26-18-10-6-3-7-14(18)12-15(13-21)19(23)22-17-9-5-4-8-16(17)20(24)25/h1,3-10,12H,11H2,(H,22,23)(H,24,25)/b15-12+