[2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 3-bromanyl-5-ethoxy-4-methoxy-benzoate

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 3-bromanyl-5-ethoxy-4-methoxy-benzoate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 3-bromo-5-ethoxy-4-methoxy-benzoate CAS Name: 3-bromo-5-ethoxy-4-methoxybenzoic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 3-bromo-5-ethoxy-4-methoxybenzoate Traditional Name: 3-bromo-5-ethoxy-4-methoxy-benzoic acid [2-keto-2-(propargylamino)ethyl] ester Formula: C15H16BrNO5 MolecularWeight: 370.19524

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C(=O)OCC(=O)NCC#C)Br)OC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C(=O)OCC(=O)NCC#C)Br)OC

InChI

InChI=1S/C15H16BrNO5/c1-4-6-17-13(18)9-22-15(19)10-7-11(16)14(20-3)12(8-10)21-5-2/h1,7-8H,5-6,9H2,2-3H3,(H,17,18)