propan-2-yl 5-(but-3-ynoylamino)-2-chloranyl-benzoate

Systemtic Name: propan-2-yl 5-(but-3-ynoylamino)-2-chloranyl-benzoate Openeye Name: isopropyl 5-(but-3-ynoylamino)-2-chloro-benzoate CAS Name: 2-chloro-5-(1-oxobut-3-ynylamino)benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 5-(but-3-ynoylamino)-2-chlorobenzoate Traditional Name: 5-(but-3-ynoylamino)-2-chloro-benzoic acid isopropyl ester Formula: C14H14ClNO3 MolecularWeight: 279.71886

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=C(C=CC(=C1)NC(=O)CC#C)Cl

Isomeric SMILES

CC(C)OC(=O)C1=C(C=CC(=C1)NC(=O)CC#C)Cl

InChI

InChI=1S/C14H14ClNO3/c1-4-5-13(17)16-10-6-7-12(15)11(8-10)14(18)19-9(2)3/h1,6-9H,5H2,2-3H3,(H,16,17)