3-[2-(2-cyanoethylamino)-2-oxidanylidene-ethoxy]naphthalene-2-carboxylic acid

Systemtic Name: 3-[2-(2-cyanoethylamino)-2-oxidanylidene-ethoxy]naphthalene-2-carboxylic acid Openeye Name: 3-[2-(2-cyanoethylamino)-2-oxo-ethoxy]naphthalene-2-carboxylic acid CAS Name: 3-[2-(2-cyanoethylamino)-2-oxoethoxy]-2-naphthalenecarboxylic acid IUPAC Name: 3-[2-(2-cyanoethylamino)-2-oxoethoxy]naphthalene-2-carboxylic acid Traditional Name: 3-[2-(2-cyanoethylamino)-2-keto-ethoxy]-2-naphthoic acid Formula: C16H14N2O4 MolecularWeight: 298.29336

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C(=CC2=C1)C(=O)O)OCC(=O)NCCC#N

Isomeric SMILES

C1=CC=C2C=C(C(=CC2=C1)C(=O)O)OCC(=O)NCCC#N

InChI

InChI=1S/C16H14N2O4/c17-6-3-7-18-15(19)10-22-14-9-12-5-2-1-4-11(12)8-13(14)16(20)21/h1-2,4-5,8-9H,3,7,10H2,(H,18,19)(H,20,21)