(E)-3-[3-[2-(cyanomethylamino)-2-oxidanylidene-ethoxy]phenyl]prop-2-enoate

Systemtic Name: (E)-3-[3-[2-(cyanomethylamino)-2-oxidanylidene-ethoxy]phenyl]prop-2-enoate Openeye Name: (E)-3-[3-[2-(cyanomethylamino)-2-oxo-ethoxy]phenyl]prop-2-enoate CAS Name: (E)-3-[3-[2-(cyanomethylamino)-2-oxoethoxy]phenyl]-2-propenoate IUPAC Name: (E)-3-[3-[2-(cyanomethylamino)-2-oxoethoxy]phenyl]prop-2-enoate Traditional Name: (E)-3-[3-[2-(cyanomethylamino)-2-keto-ethoxy]phenyl]acrylate Formula: C13H11N2O4- MolecularWeight: 259.23744

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC(=CC(=C1)OCC(=O)NCC#N)/C=C/C(=O)[O-]

InChI

InChI=1S/C13H12N2O4/c14-6-7-15-12(16)9-19-11-3-1-2-10(8-11)4-5-13(17)18/h1-5,8H,7,9H2,(H,15,16)(H,17,18)/p-1/b5-4+