[2-[[2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-methyl-amino]-2-oxidanylidene-ethyl] 4-cyanobenzoate

Systemtic Name: [2-[[2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-methyl-amino]-2-oxidanylidene-ethyl] 4-cyanobenzoate Openeye Name: [2-[[2-(2,5-dimethylanilino)-2-oxo-ethyl]-methyl-amino]-2-oxo-ethyl] 4-cyanobenzoate CAS Name: 4-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] 4-cyanobenzoate Traditional Name: 4-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=C(C=C2)C#N

Isomeric SMILES

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

InChI

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