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

Systemtic Name: (E)-3-[2-[(2S)-1-(methylamino)-1-oxidanylidene-propan-2-yl]oxyphenyl]prop-2-enoate Openeye Name: (E)-3-[2-[(1S)-1-methyl-2-(methylamino)-2-oxo-ethoxy]phenyl]prop-2-enoate CAS Name: (E)-3-[2-[(2S)-1-(methylamino)-1-oxopropan-2-yl]oxyphenyl]-2-propenoate IUPAC Name: (E)-3-[2-[(2S)-1-(methylamino)-1-oxopropan-2-yl]oxyphenyl]prop-2-enoate Traditional Name: (E)-3-[2-[(1S)-2-keto-1-methyl-2-(methylamino)ethoxy]phenyl]acrylate Formula: C13H14NO4- MolecularWeight: 248.25456

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC)OC1=CC=CC=C1C=CC(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C13H15NO4/c1-9(13(17)14-2)18-11-6-4-3-5-10(11)7-8-12(15)16/h3-9H,1-2H3,(H,14,17)(H,15,16)/p-1/b8-7+/t9-/m0/s1