[2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] anthracene-9-carboxylate

Systemtic Name: [2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] anthracene-9-carboxylate Openeye Name: [2-[N-(2-cyanoethyl)anilino]-2-oxo-ethyl] anthracene-9-carboxylate CAS Name: 9-anthracenecarboxylic acid [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] anthracene-9-carboxylate Traditional Name: anthracene-9-carboxylic acid [2-[N-(2-cyanoethyl)anilino]-2-keto-ethyl] ester Formula: C26H20N2O3 MolecularWeight: 408.4486

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(CCC#N)C(=O)COC(=O)C2=C3C=CC=CC3=CC4=CC=CC=C42

Isomeric SMILES

C1=CC=C(C=C1)N(CCC#N)C(=O)COC(=O)C2=C3C=CC=CC3=CC4=CC=CC=C42

InChI

InChI=1S/C26H20N2O3/c27-15-8-16-28(21-11-2-1-3-12-21)24(29)18-31-26(30)25-22-13-6-4-9-19(22)17-20-10-5-7-14-23(20)25/h1-7,9-14,17H,8,16,18H2