[2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl] 4-(diethylamino)benzoate

Systemtic Name: [2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl] 4-(diethylamino)benzoate Openeye Name: [2-[N-(cyanomethyl)anilino]-2-oxo-ethyl] 4-(diethylamino)benzoate CAS Name: 4-(diethylamino)benzoic acid [2-[N-(cyanomethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(cyanomethyl)anilino]-2-oxoethyl] 4-(diethylamino)benzoate Traditional Name: 4-(diethylamino)benzoic acid [2-[N-(cyanomethyl)anilino]-2-keto-ethyl] ester Formula: C21H23N3O3 MolecularWeight: 365.42562

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)C(=O)OCC(=O)N(CC#N)C2=CC=CC=C2

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)C(=O)OCC(=O)N(CC#N)C2=CC=CC=C2

InChI

InChI=1S/C21H23N3O3/c1-3-23(4-2)18-12-10-17(11-13-18)21(26)27-16-20(25)24(15-14-22)19-8-6-5-7-9-19/h5-13H,3-4,15-16H2,1-2H3