methyl 4-[[3-(6-chloranyl-2-oxidanylidene-1,3-benzoxazol-3-yl)propanoylamino]methyl]benzoate

Systemtic Name: methyl 4-[[3-(6-chloranyl-2-oxidanylidene-1,3-benzoxazol-3-yl)propanoylamino]methyl]benzoate Openeye Name: methyl 4-[[3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)propanoylamino]methyl]benzoate CAS Name: 4-[[[3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-1-oxopropyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)propanoylamino]methyl]benzoate Traditional Name: 4-[[3-(6-chloro-2-keto-1,3-benzoxazol-3-yl)propanoylamino]methyl]benzoic acid methyl ester Formula: C19H17ClN2O5 MolecularWeight: 388.80168

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNC(=O)CCN2C3=C(C=C(C=C3)Cl)OC2=O

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC(=O)CCN2C3=C(C=C(C=C3)Cl)OC2=O

InChI

InChI=1S/C19H17ClN2O5/c1-26-18(24)13-4-2-12(3-5-13)11-21-17(23)8-9-22-15-7-6-14(20)10-16(15)27-19(22)25/h2-7,10H,8-9,11H2,1H3,(H,21,23)