[2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 4-ethylbenzoate

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 4-ethylbenzoate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 4-ethylbenzoate CAS Name: 4-ethylbenzoic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 4-ethylbenzoate Traditional Name: 4-ethylbenzoic acid [2-keto-2-(propargylamino)ethyl] ester Formula: C14H15NO3 MolecularWeight: 245.2738

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)OCC(=O)NCC#C

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)OCC(=O)NCC#C

InChI

InChI=1S/C14H15NO3/c1-3-9-15-13(16)10-18-14(17)12-7-5-11(4-2)6-8-12/h1,5-8H,4,9-10H2,2H3,(H,15,16)