[2-[(4-ethylphenyl)amino]-2-oxidanylidene-ethyl] 3-chloranyl-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxylate

Systemtic Name: [2-[(4-ethylphenyl)amino]-2-oxidanylidene-ethyl] 3-chloranyl-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxylate Openeye Name: [2-(4-ethylanilino)-2-oxo-ethyl] 3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxylate CAS Name: 3-chloro-6-(3,5-dimethyl-1-pyrazolyl)-2-pyridinecarboxylic acid [2-(4-ethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-ethylanilino)-2-oxoethyl] 3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxylate Traditional Name: 3-chloro-6-(3,5-dimethylpyrazol-1-yl)picolinic acid [2-(4-ethylanilino)-2-keto-ethyl] ester Formula: C21H21ClN4O3 MolecularWeight: 412.86944

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)COC(=O)C2=C(C=CC(=N2)N3C(=CC(=N3)C)C)Cl

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)COC(=O)C2=C(C=CC(=N2)N3C(=CC(=N3)C)C)Cl

InChI

InChI=1S/C21H21ClN4O3/c1-4-15-5-7-16(8-6-15)23-19(27)12-29-21(28)20-17(22)9-10-18(24-20)26-14(3)11-13(2)25-26/h5-11H,4,12H2,1-3H3,(H,23,27)