(E)-3-[4-[2-(cyanomethylamino)-2-oxidanylidene-ethoxy]phenyl]prop-2-enoate

Systemtic Name: (E)-3-[4-[2-(cyanomethylamino)-2-oxidanylidene-ethoxy]phenyl]prop-2-enoate Openeye Name: (E)-3-[4-[2-(cyanomethylamino)-2-oxo-ethoxy]phenyl]prop-2-enoate CAS Name: (E)-3-[4-[2-(cyanomethylamino)-2-oxoethoxy]phenyl]-2-propenoate IUPAC Name: (E)-3-[4-[2-(cyanomethylamino)-2-oxoethoxy]phenyl]prop-2-enoate Traditional Name: (E)-3-[4-[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=C1C=CC(=O)[O-])OCC(=O)NCC#N

Isomeric SMILES

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

InChI

InChI=1S/C13H12N2O4/c14-7-8-15-12(16)9-19-11-4-1-10(2-5-11)3-6-13(17)18/h1-6H,8-9H2,(H,15,16)(H,17,18)/p-1/b6-3+