3-[2-(1,3-benzoxazol-4-ylcarbonyloxy)propanoylamino]-4-chloranyl-benzoic acid

Systemtic Name: 3-[2-(1,3-benzoxazol-4-ylcarbonyloxy)propanoylamino]-4-chloranyl-benzoic acid Openeye Name: 3-[2-(1,3-benzoxazole-4-carbonyloxy)propanoylamino]-4-chloro-benzoic acid CAS Name: 3-[[2-[1,3-benzoxazol-4-yl(oxo)methoxy]-1-oxopropyl]amino]-4-chlorobenzoic acid IUPAC Name: 3-[2-(1,3-benzoxazole-4-carbonyloxy)propanoylamino]-4-chlorobenzoic acid Traditional Name: 3-[2-(1,3-benzoxazole-4-carbonyloxy)propanoylamino]-4-chloro-benzoic acid Formula: C18H13ClN2O6 MolecularWeight: 388.75862

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)C(=O)O)Cl)OC(=O)C2=C3C(=CC=C2)OC=N3

Isomeric SMILES

CC(C(=O)NC1=C(C=CC(=C1)C(=O)O)Cl)OC(=O)C2=C3C(=CC=C2)OC=N3

InChI

InChI=1S/C18H13ClN2O6/c1-9(16(22)21-13-7-10(17(23)24)5-6-12(13)19)27-18(25)11-3-2-4-14-15(11)20-8-26-14/h2-9H,1H3,(H,21,22)(H,23,24)