5-[[(E)-2-(1,3-benzoxazol-2-yl)-2-cyano-ethenyl]amino]-2-chloranyl-benzoic acid

Systemtic Name: 5-[[(E)-2-(1,3-benzoxazol-2-yl)-2-cyano-ethenyl]amino]-2-chloranyl-benzoic acid Openeye Name: 5-[[(E)-2-(1,3-benzoxazol-2-yl)-2-cyano-vinyl]amino]-2-chloro-benzoic acid CAS Name: 5-[[(E)-2-(1,3-benzoxazol-2-yl)-2-cyanoethenyl]amino]-2-chlorobenzoic acid IUPAC Name: 5-[[(E)-2-(1,3-benzoxazol-2-yl)-2-cyanoethenyl]amino]-2-chlorobenzoic acid Traditional Name: 5-[[(E)-2-(1,3-benzoxazol-2-yl)-2-cyano-vinyl]amino]-2-chloro-benzoic acid Formula: C17H10ClN3O3 MolecularWeight: 339.7326

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(O2)C(=CNC3=CC(=C(C=C3)Cl)C(=O)O)C#N

Isomeric SMILES

C1=CC=C2C(=C1)N=C(O2)/C(=C/NC3=CC(=C(C=C3)Cl)C(=O)O)/C#N

InChI

InChI=1S/C17H10ClN3O3/c18-13-6-5-11(7-12(13)17(22)23)20-9-10(8-19)16-21-14-3-1-2-4-15(14)24-16/h1-7,9,20H,(H,22,23)/b10-9+