[2-[[2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-methyl-amino]-2-oxidanylidene-ethyl] 3-cyanobenzoate

Systemtic Name: [2-[[2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-methyl-amino]-2-oxidanylidene-ethyl] 3-cyanobenzoate Openeye Name: [2-[[2-(2,5-dimethylanilino)-2-oxo-ethyl]-methyl-amino]-2-oxo-ethyl] 3-cyanobenzoate CAS Name: 3-cyanobenzoic acid [2-[[2-(2,5-dimethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[[2-(2,5-dimethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 3-cyanobenzoate Traditional Name: 3-cyanobenzoic acid [2-[[2-(2,5-dimethylanilino)-2-keto-ethyl]-methyl-amino]-2-keto-ethyl] ester Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)CN(C)C(=O)COC(=O)C2=CC=CC(=C2)C#N

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)CN(C)C(=O)COC(=O)C2=CC=CC(=C2)C#N

InChI

InChI=1S/C21H21N3O4/c1-14-7-8-15(2)18(9-14)23-19(25)12-24(3)20(26)13-28-21(27)17-6-4-5-16(10-17)11-22/h4-10H,12-13H2,1-3H3,(H,23,25)