4-[[(E)-3-(6-chloranyl-2H-chromen-3-yl)-2-cyano-prop-2-enoyl]amino]benzoic acid

Systemtic Name: 4-[[(E)-3-(6-chloranyl-2H-chromen-3-yl)-2-cyano-prop-2-enoyl]amino]benzoic acid Openeye Name: 4-[[(E)-3-(6-chloro-2H-chromen-3-yl)-2-cyano-prop-2-enoyl]amino]benzoic acid CAS Name: 4-[[(E)-3-(6-chloro-2H-1-benzopyran-3-yl)-2-cyano-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 4-[[(E)-3-(6-chloro-2H-chromen-3-yl)-2-cyanoprop-2-enoyl]amino]benzoic acid Traditional Name: 4-[[(E)-3-(6-chloro-2H-chromen-3-yl)-2-cyano-acryloyl]amino]benzoic acid Formula: C20H13ClN2O4 MolecularWeight: 380.78122

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=CC2=C(O1)C=CC(=C2)Cl)C=C(C#N)C(=O)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1C(=CC2=C(O1)C=CC(=C2)Cl)/C=C(\C#N)/C(=O)NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C20H13ClN2O4/c21-16-3-6-18-14(9-16)7-12(11-27-18)8-15(10-22)19(24)23-17-4-1-13(2-5-17)20(25)26/h1-9H,11H2,(H,23,24)(H,25,26)/b15-8+