[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] anthracene-9-carboxylate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] anthracene-9-carboxylate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] anthracene-9-carboxylate CAS Name: 9-anthracenecarboxylic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] anthracene-9-carboxylate Traditional Name: anthracene-9-carboxylic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C20H16N2O3 MolecularWeight: 332.35264

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C3C=CC=CC3=C2C(=O)OCC(=O)NCCC#N

Isomeric SMILES

C1=CC=C2C(=C1)C=C3C=CC=CC3=C2C(=O)OCC(=O)NCCC#N

InChI

InChI=1S/C20H16N2O3/c21-10-5-11-22-18(23)13-25-20(24)19-16-8-3-1-6-14(16)12-15-7-2-4-9-17(15)19/h1-4,6-9,12H,5,11,13H2,(H,22,23)