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

Systemtic Name: methyl 4-[2-[(3,4-dimethylphenyl)amino]-2-oxidanylidene-ethoxy]-1-phenyl-pyrazole-3-carboxylate Openeye Name: methyl 4-[2-(3,4-dimethylanilino)-2-oxo-ethoxy]-1-phenyl-pyrazole-3-carboxylate CAS Name: 4-[2-(3,4-dimethylanilino)-2-oxoethoxy]-1-phenyl-3-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 4-[2-(3,4-dimethylanilino)-2-oxoethoxy]-1-phenylpyrazole-3-carboxylate Traditional Name: 4-[2-(3,4-dimethylanilino)-2-keto-ethoxy]-1-phenyl-pyrazole-3-carboxylic acid methyl ester Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)COC2=CN(N=C2C(=O)OC)C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)COC2=CN(N=C2C(=O)OC)C3=CC=CC=C3)C

InChI

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