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

Systemtic Name: 2-azanyl-5-[2-(2-cyanoethylamino)-2-oxidanylidene-ethoxy]-4-methoxy-benzoic acid Openeye Name: 2-amino-5-[2-(2-cyanoethylamino)-2-oxo-ethoxy]-4-methoxy-benzoic acid CAS Name: 2-amino-5-[2-(2-cyanoethylamino)-2-oxoethoxy]-4-methoxybenzoic acid IUPAC Name: 2-amino-5-[2-(2-cyanoethylamino)-2-oxoethoxy]-4-methoxybenzoic acid Traditional Name: 2-amino-5-[2-(2-cyanoethylamino)-2-keto-ethoxy]-4-methoxy-benzoic acid Formula: C13H15N3O5 MolecularWeight: 293.2753

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15N3O5/c1-20-10-6-9(15)8(13(18)19)5-11(10)21-7-12(17)16-4-2-3-14/h5-6H,2,4,7,15H2,1H3,(H,16,17)(H,18,19)