[2-[(4-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-methoxy-1-phenyl-pyrazole-3-carboxylate

Systemtic Name: [2-[(4-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-methoxy-1-phenyl-pyrazole-3-carboxylate Openeye Name: [2-(4-chloro-2-methyl-anilino)-2-oxo-ethyl] 4-methoxy-1-phenyl-pyrazole-3-carboxylate CAS Name: 4-methoxy-1-phenyl-3-pyrazolecarboxylic acid [2-(4-chloro-2-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-chloro-2-methylanilino)-2-oxoethyl] 4-methoxy-1-phenylpyrazole-3-carboxylate Traditional Name: 4-methoxy-1-phenyl-pyrazole-3-carboxylic acid [2-(4-chloro-2-methyl-anilino)-2-keto-ethyl] ester Formula: C20H18ClN3O4 MolecularWeight: 399.82762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)NC(=O)COC(=O)C2=NN(C=C2OC)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)NC(=O)COC(=O)C2=NN(C=C2OC)C3=CC=CC=C3

InChI

InChI=1S/C20H18ClN3O4/c1-13-10-14(21)8-9-16(13)22-18(25)12-28-20(26)19-17(27-2)11-24(23-19)15-6-4-3-5-7-15/h3-11H,12H2,1-2H3,(H,22,25)