(E)-3-[3-[(2S)-1-oxidanylidene-1-(prop-2-ynylamino)propan-2-yl]oxyphenyl]prop-2-enoate

Systemtic Name: (E)-3-[3-[(2S)-1-oxidanylidene-1-(prop-2-ynylamino)propan-2-yl]oxyphenyl]prop-2-enoate Openeye Name: (E)-3-[3-[(1S)-1-methyl-2-oxo-2-(prop-2-ynylamino)ethoxy]phenyl]prop-2-enoate CAS Name: (E)-3-[3-[(2S)-1-oxo-1-(prop-2-ynylamino)propan-2-yl]oxyphenyl]-2-propenoate IUPAC Name: (E)-3-[3-[(2S)-1-oxo-1-(prop-2-ynylamino)propan-2-yl]oxyphenyl]prop-2-enoate Traditional Name: (E)-3-[3-[(1S)-2-keto-1-methyl-2-(propargylamino)ethoxy]phenyl]acrylate Formula: C15H14NO4- MolecularWeight: 272.27596

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC#C)OC1=CC=CC(=C1)C=CC(=O)[O-]

Isomeric SMILES

C[C@@H](C(=O)NCC#C)OC1=CC=CC(=C1)/C=C/C(=O)[O-]

InChI

InChI=1S/C15H15NO4/c1-3-9-16-15(19)11(2)20-13-6-4-5-12(10-13)7-8-14(17)18/h1,4-8,10-11H,9H2,2H3,(H,16,19)(H,17,18)/p-1/b8-7+/t11-/m0/s1