2-azanyl-5-[2-(cyanomethylamino)-2-oxidanylidene-ethoxy]-4-methoxy-benzoic acid

Systemtic Name: 2-azanyl-5-[2-(cyanomethylamino)-2-oxidanylidene-ethoxy]-4-methoxy-benzoic acid Openeye Name: 2-amino-5-[2-(cyanomethylamino)-2-oxo-ethoxy]-4-methoxy-benzoic acid CAS Name: 2-amino-5-[2-(cyanomethylamino)-2-oxoethoxy]-4-methoxybenzoic acid IUPAC Name: 2-amino-5-[2-(cyanomethylamino)-2-oxoethoxy]-4-methoxybenzoic acid Traditional Name: 2-amino-5-[2-(cyanomethylamino)-2-keto-ethoxy]-4-methoxy-benzoic acid Formula: C12H13N3O5 MolecularWeight: 279.24872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13N3O5/c1-19-9-5-8(14)7(12(17)18)4-10(9)20-6-11(16)15-3-2-13/h4-5H,3,6,14H2,1H3,(H,15,16)(H,17,18)