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

Systemtic Name: [2-[(3-chloranyl-4-cyano-phenyl)amino]-2-oxidanylidene-ethyl] 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate Openeye Name: [2-(3-chloro-4-cyano-anilino)-2-oxo-ethyl] 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate CAS Name: 6-(3,5-dimethyl-1-pyrazolyl)-3-pyridinecarboxylic acid [2-(3-chloro-4-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-chloro-4-cyanoanilino)-2-oxoethyl] 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate Traditional Name: 6-(3,5-dimethylpyrazol-1-yl)nicotinic acid [2-(3-chloro-4-cyano-anilino)-2-keto-ethyl] ester Formula: C20H16ClN5O3 MolecularWeight: 409.82574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=NC=C(C=C2)C(=O)OCC(=O)NC3=CC(=C(C=C3)C#N)Cl)C

Isomeric SMILES

CC1=CC(=NN1C2=NC=C(C=C2)C(=O)OCC(=O)NC3=CC(=C(C=C3)C#N)Cl)C

InChI

InChI=1S/C20H16ClN5O3/c1-12-7-13(2)26(25-12)18-6-4-15(10-23-18)20(28)29-11-19(27)24-16-5-3-14(9-22)17(21)8-16/h3-8,10H,11H2,1-2H3,(H,24,27)