[2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-methoxy-1-phenyl-pyrazole-3-carboxylate

Systemtic Name: [2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-methoxy-1-phenyl-pyrazole-3-carboxylate Openeye Name: [2-(2-ethyl-6-methyl-anilino)-2-oxo-ethyl] 4-methoxy-1-phenyl-pyrazole-3-carboxylate CAS Name: 4-methoxy-1-phenyl-3-pyrazolecarboxylic acid [2-(2-ethyl-6-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 4-methoxy-1-phenylpyrazole-3-carboxylate Traditional Name: 4-methoxy-1-phenyl-pyrazole-3-carboxylic acid [2-(2-ethyl-6-methyl-anilino)-2-keto-ethyl] ester Formula: C22H23N3O4 MolecularWeight: 393.43572

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)COC(=O)C2=NN(C=C2OC)C3=CC=CC=C3)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)COC(=O)C2=NN(C=C2OC)C3=CC=CC=C3)C

InChI

InChI=1S/C22H23N3O4/c1-4-16-10-8-9-15(2)20(16)23-19(26)14-29-22(27)21-18(28-3)13-25(24-21)17-11-6-5-7-12-17/h5-13H,4,14H2,1-3H3,(H,23,26)