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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)NC=C(C#N)C2=NC3=C(O2)C=CC(=C3)Cl

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)NC=C(C#N)C2=NC3=C(O2)C=CC(=C3)Cl

InChI

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