[2-[(2-chloranylpyridin-3-yl)amino]-2-oxidanylidene-ethyl] 3-(5-methylfuran-2-yl)-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: [2-[(2-chloranylpyridin-3-yl)amino]-2-oxidanylidene-ethyl] 3-(5-methylfuran-2-yl)-1-phenyl-pyrazole-4-carboxylate Openeye Name: [2-[(2-chloro-3-pyridyl)amino]-2-oxo-ethyl] 3-(5-methyl-2-furyl)-1-phenyl-pyrazole-4-carboxylate CAS Name: 3-(5-methyl-2-furanyl)-1-phenyl-4-pyrazolecarboxylic acid [2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(2-chloropyridin-3-yl)amino]-2-oxoethyl] 3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxylate Traditional Name: 3-(5-methyl-2-furyl)-1-phenyl-pyrazole-4-carboxylic acid [2-[(2-chloro-3-pyridyl)amino]-2-keto-ethyl] ester Formula: C22H17ClN4O4 MolecularWeight: 436.84778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C2=NN(C=C2C(=O)OCC(=O)NC3=C(N=CC=C3)Cl)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(O1)C2=NN(C=C2C(=O)OCC(=O)NC3=C(N=CC=C3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C22H17ClN4O4/c1-14-9-10-18(31-14)20-16(12-27(26-20)15-6-3-2-4-7-15)22(29)30-13-19(28)25-17-8-5-11-24-21(17)23/h2-12H,13H2,1H3,(H,25,28)