[2-[(2-azanyl-2-oxidanylidene-ethyl)amino]-2-oxidanylidene-ethyl] 3-(3,4-dimethylphenyl)-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: [2-[(2-azanyl-2-oxidanylidene-ethyl)amino]-2-oxidanylidene-ethyl] 3-(3,4-dimethylphenyl)-1-phenyl-pyrazole-4-carboxylate Openeye Name: [2-[(2-amino-2-oxo-ethyl)amino]-2-oxo-ethyl] 3-(3,4-dimethylphenyl)-1-phenyl-pyrazole-4-carboxylate CAS Name: 3-(3,4-dimethylphenyl)-1-phenyl-4-pyrazolecarboxylic acid [2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] 3-(3,4-dimethylphenyl)-1-phenylpyrazole-4-carboxylate Traditional Name: 3-(3,4-dimethylphenyl)-1-phenyl-pyrazole-4-carboxylic acid [2-[(2-amino-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=C(C=C1)C2=NN(C=C2C(=O)OCC(=O)NCC(=O)N)C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN(C=C2C(=O)OCC(=O)NCC(=O)N)C3=CC=CC=C3)C

InChI

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