2-[3-(6-chloranyl-2-oxidanylidene-1,3-benzoxazol-3-yl)propanoylamino]benzoic acid

Systemtic Name: 2-[3-(6-chloranyl-2-oxidanylidene-1,3-benzoxazol-3-yl)propanoylamino]benzoic acid Openeye Name: 2-[3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)propanoylamino]benzoic acid CAS Name: 2-[[3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-1-oxopropyl]amino]benzoic acid IUPAC Name: 2-[3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)propanoylamino]benzoic acid Traditional Name: 2-[3-(6-chloro-2-keto-1,3-benzoxazol-3-yl)propanoylamino]benzoic acid Formula: C17H13ClN2O5 MolecularWeight: 360.74852

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)NC(=O)CCN2C3=C(C=C(C=C3)Cl)OC2=O

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)NC(=O)CCN2C3=C(C=C(C=C3)Cl)OC2=O

InChI

InChI=1S/C17H13ClN2O5/c18-10-5-6-13-14(9-10)25-17(24)20(13)8-7-15(21)19-12-4-2-1-3-11(12)16(22)23/h1-6,9H,7-8H2,(H,19,21)(H,22,23)