4-[2-(2-cyanoethylamino)-2-oxidanylidene-ethoxy]-3,5-dimethyl-benzoic acid

Systemtic Name: 4-[2-(2-cyanoethylamino)-2-oxidanylidene-ethoxy]-3,5-dimethyl-benzoic acid Openeye Name: 4-[2-(2-cyanoethylamino)-2-oxo-ethoxy]-3,5-dimethyl-benzoic acid CAS Name: 4-[2-(2-cyanoethylamino)-2-oxoethoxy]-3,5-dimethylbenzoic acid IUPAC Name: 4-[2-(2-cyanoethylamino)-2-oxoethoxy]-3,5-dimethylbenzoic acid Traditional Name: 4-[2-(2-cyanoethylamino)-2-keto-ethoxy]-3,5-dimethyl-benzoic acid Formula: C14H16N2O4 MolecularWeight: 276.28784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OCC(=O)NCCC#N)C)C(=O)O

Isomeric SMILES

CC1=CC(=CC(=C1OCC(=O)NCCC#N)C)C(=O)O

InChI

InChI=1S/C14H16N2O4/c1-9-6-11(14(18)19)7-10(2)13(9)20-8-12(17)16-5-3-4-15/h6-7H,3,5,8H2,1-2H3,(H,16,17)(H,18,19)