4-[2-(cyanomethylamino)-2-oxidanylidene-ethoxy]-3,5-dimethyl-benzoate

Systemtic Name: 4-[2-(cyanomethylamino)-2-oxidanylidene-ethoxy]-3,5-dimethyl-benzoate Openeye Name: 4-[2-(cyanomethylamino)-2-oxo-ethoxy]-3,5-dimethyl-benzoate CAS Name: 4-[2-(cyanomethylamino)-2-oxoethoxy]-3,5-dimethylbenzoate IUPAC Name: 4-[2-(cyanomethylamino)-2-oxoethoxy]-3,5-dimethylbenzoate Traditional Name: 4-[2-(cyanomethylamino)-2-keto-ethoxy]-3,5-dimethyl-benzoate Formula: C13H13N2O4- MolecularWeight: 261.25332

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N2O4/c1-8-5-10(13(17)18)6-9(2)12(8)19-7-11(16)15-4-3-14/h5-6H,4,7H2,1-2H3,(H,15,16)(H,17,18)/p-1