(E)-3-[3,5-dimethyl-4-[2-oxidanylidene-2-(prop-2-ynylamino)ethoxy]phenyl]prop-2-enoate

Systemtic Name: (E)-3-[3,5-dimethyl-4-[2-oxidanylidene-2-(prop-2-ynylamino)ethoxy]phenyl]prop-2-enoate Openeye Name: (E)-3-[3,5-dimethyl-4-[2-oxo-2-(prop-2-ynylamino)ethoxy]phenyl]prop-2-enoate CAS Name: (E)-3-[3,5-dimethyl-4-[2-oxo-2-(prop-2-ynylamino)ethoxy]phenyl]-2-propenoate IUPAC Name: (E)-3-[3,5-dimethyl-4-[2-oxo-2-(prop-2-ynylamino)ethoxy]phenyl]prop-2-enoate Traditional Name: (E)-3-[4-[2-keto-2-(propargylamino)ethoxy]-3,5-dimethyl-phenyl]acrylate Formula: C16H16NO4- MolecularWeight: 286.30254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OCC(=O)NCC#C)C)C=CC(=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1OCC(=O)NCC#C)C)/C=C/C(=O)[O-]

InChI

InChI=1S/C16H17NO4/c1-4-7-17-14(18)10-21-16-11(2)8-13(9-12(16)3)5-6-15(19)20/h1,5-6,8-9H,7,10H2,2-3H3,(H,17,18)(H,19,20)/p-1/b6-5+