[2-[[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl] 3-phenyl-1H-pyrazole-5-carboxylate

Systemtic Name: [2-[[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl] 3-phenyl-1H-pyrazole-5-carboxylate Openeye Name: [2-[[2-(2,6-dimethylanilino)-2-oxo-ethyl]amino]-2-oxo-ethyl] 3-phenyl-1H-pyrazole-5-carboxylate CAS Name: 3-phenyl-1H-pyrazole-5-carboxylic acid [2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 3-phenyl-1H-pyrazole-5-carboxylate Traditional Name: 3-phenyl-1H-pyrazole-5-carboxylic acid [2-[[2-(2,6-dimethylanilino)-2-keto-ethyl]amino]-2-keto-ethyl] ester Formula: C22H22N4O4 MolecularWeight: 406.43448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)CNC(=O)COC(=O)C2=CC(=NN2)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)CNC(=O)COC(=O)C2=CC(=NN2)C3=CC=CC=C3

InChI

InChI=1S/C22H22N4O4/c1-14-7-6-8-15(2)21(14)24-19(27)12-23-20(28)13-30-22(29)18-11-17(25-26-18)16-9-4-3-5-10-16/h3-11H,12-13H2,1-2H3,(H,23,28)(H,24,27)(H,25,26)