[1-[(3,4-dimethoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] 5-methyl-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: [1-[(3,4-dimethoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] 5-methyl-1-phenyl-pyrazole-4-carboxylate Openeye Name: [2-(3,4-dimethoxyanilino)-1-methyl-2-oxo-ethyl] 5-methyl-1-phenyl-pyrazole-4-carboxylate CAS Name: 5-methyl-1-phenyl-4-pyrazolecarboxylic acid [1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl] 5-methyl-1-phenylpyrazole-4-carboxylate Traditional Name: 5-methyl-1-phenyl-pyrazole-4-carboxylic acid [2-(3,4-dimethoxyanilino)-2-keto-1-methyl-ethyl] ester Formula: C22H23N3O5 MolecularWeight: 409.43512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=CC=CC=C2)C(=O)OC(C)C(=O)NC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1=C(C=NN1C2=CC=CC=C2)C(=O)OC(C)C(=O)NC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C22H23N3O5/c1-14-18(13-23-25(14)17-8-6-5-7-9-17)22(27)30-15(2)21(26)24-16-10-11-19(28-3)20(12-16)29-4/h5-13,15H,1-4H3,(H,24,26)