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

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 3-chloranyl-4-ethoxy-5-methoxy-benzoate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 3-chloro-4-ethoxy-5-methoxy-benzoate CAS Name: 3-chloro-4-ethoxy-5-methoxybenzoic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 3-chloro-4-ethoxy-5-methoxybenzoate Traditional Name: 3-chloro-4-ethoxy-5-methoxy-benzoic acid [2-keto-2-(propargylamino)ethyl] ester Formula: C15H16ClNO5 MolecularWeight: 325.74424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Cl)C(=O)OCC(=O)NCC#C)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1Cl)C(=O)OCC(=O)NCC#C)OC

InChI

InChI=1S/C15H16ClNO5/c1-4-6-17-13(18)9-22-15(19)10-7-11(16)14(21-5-2)12(8-10)20-3/h1,7-8H,5-6,9H2,2-3H3,(H,17,18)