[2-[(5-methyl-2-phenyl-pyrazol-3-yl)amino]-2-oxidanylidene-ethyl] 2,4-dimethylbenzoate

Systemtic Name: [2-[(5-methyl-2-phenyl-pyrazol-3-yl)amino]-2-oxidanylidene-ethyl] 2,4-dimethylbenzoate Openeye Name: [2-[(5-methyl-2-phenyl-pyrazol-3-yl)amino]-2-oxo-ethyl] 2,4-dimethylbenzoate CAS Name: 2,4-dimethylbenzoic acid [2-[(5-methyl-2-phenyl-3-pyrazolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(5-methyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl] 2,4-dimethylbenzoate Traditional Name: 2,4-dimethylbenzoic acid [2-keto-2-[(5-methyl-2-phenyl-pyrazol-3-yl)amino]ethyl] ester Formula: C21H21N3O3 MolecularWeight: 363.40974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)OCC(=O)NC2=CC(=NN2C3=CC=CC=C3)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)OCC(=O)NC2=CC(=NN2C3=CC=CC=C3)C)C

InChI

InChI=1S/C21H21N3O3/c1-14-9-10-18(15(2)11-14)21(26)27-13-20(25)22-19-12-16(3)23-24(19)17-7-5-4-6-8-17/h4-12H,13H2,1-3H3,(H,22,25)