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

Systemtic Name: 4-[2-(cyanomethylamino)-2-oxidanylidene-ethoxy]-3-methoxy-benzoic acid Openeye Name: 4-[2-(cyanomethylamino)-2-oxo-ethoxy]-3-methoxy-benzoic acid CAS Name: 4-[2-(cyanomethylamino)-2-oxoethoxy]-3-methoxybenzoic acid IUPAC Name: 4-[2-(cyanomethylamino)-2-oxoethoxy]-3-methoxybenzoic acid Traditional Name: 4-[2-(cyanomethylamino)-2-keto-ethoxy]-3-methoxy-benzoic acid Formula: C12H12N2O5 MolecularWeight: 264.23408

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)O)OCC(=O)NCC#N

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)O)OCC(=O)NCC#N

InChI

InChI=1S/C12H12N2O5/c1-18-10-6-8(12(16)17)2-3-9(10)19-7-11(15)14-5-4-13/h2-3,6H,5,7H2,1H3,(H,14,15)(H,16,17)