4-[2-(cyanomethylamino)-2-oxidanylidene-ethoxy]-3-ethoxy-benzoic acid

Systemtic Name: 4-[2-(cyanomethylamino)-2-oxidanylidene-ethoxy]-3-ethoxy-benzoic acid Openeye Name: 4-[2-(cyanomethylamino)-2-oxo-ethoxy]-3-ethoxy-benzoic acid CAS Name: 4-[2-(cyanomethylamino)-2-oxoethoxy]-3-ethoxybenzoic acid IUPAC Name: 4-[2-(cyanomethylamino)-2-oxoethoxy]-3-ethoxybenzoic acid Traditional Name: 4-[2-(cyanomethylamino)-2-keto-ethoxy]-3-ethoxy-benzoic acid Formula: C13H14N2O5 MolecularWeight: 278.26066

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(=O)O)OCC(=O)NCC#N

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(=O)O)OCC(=O)NCC#N

InChI

InChI=1S/C13H14N2O5/c1-2-19-11-7-9(13(17)18)3-4-10(11)20-8-12(16)15-6-5-14/h3-4,7H,2,6,8H2,1H3,(H,15,16)(H,17,18)