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

Systemtic Name: [2-[(4-ethoxyphenyl)amino]-2-oxidanylidene-ethyl] 4-methoxy-1-phenyl-pyrazole-3-carboxylate Openeye Name: [2-(4-ethoxyanilino)-2-oxo-ethyl] 4-methoxy-1-phenyl-pyrazole-3-carboxylate CAS Name: 4-methoxy-1-phenyl-3-pyrazolecarboxylic acid [2-(4-ethoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-ethoxyanilino)-2-oxoethyl] 4-methoxy-1-phenylpyrazole-3-carboxylate Traditional Name: 4-methoxy-1-phenyl-pyrazole-3-carboxylic acid [2-keto-2-(p-phenetidino)ethyl] ester Formula: C21H21N3O5 MolecularWeight: 395.40854

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)COC(=O)C2=NN(C=C2OC)C3=CC=CC=C3

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)COC(=O)C2=NN(C=C2OC)C3=CC=CC=C3

InChI

InChI=1S/C21H21N3O5/c1-3-28-17-11-9-15(10-12-17)22-19(25)14-29-21(26)20-18(27-2)13-24(23-20)16-7-5-4-6-8-16/h4-13H,3,14H2,1-2H3,(H,22,25)