[2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 3,5-dimethylbenzoate

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 3,5-dimethylbenzoate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 3,5-dimethylbenzoate CAS Name: 3,5-dimethylbenzoic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 3,5-dimethylbenzoate Traditional Name: 3,5-dimethylbenzoic acid [2-keto-2-(propargylamino)ethyl] ester Formula: C14H15NO3 MolecularWeight: 245.2738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)OCC(=O)NCC#C)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)OCC(=O)NCC#C)C

InChI

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