[2-[(2-ethoxyphenyl)amino]-2-oxidanylidene-ethyl] 1-(phenylmethyl)pyrazole-4-carboxylate

Systemtic Name: [2-[(2-ethoxyphenyl)amino]-2-oxidanylidene-ethyl] 1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: [2-(2-ethoxyanilino)-2-oxo-ethyl] 1-benzylpyrazole-4-carboxylate CAS Name: 1-(phenylmethyl)-4-pyrazolecarboxylic acid [2-(2-ethoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-ethoxyanilino)-2-oxoethyl] 1-benzylpyrazole-4-carboxylate Traditional Name: 1-benzylpyrazole-4-carboxylic acid [2-keto-2-(o-phenetidino)ethyl] ester Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=O)COC(=O)C2=CN(N=C2)CC3=CC=CC=C3

Isomeric SMILES

CCOC1=CC=CC=C1NC(=O)COC(=O)C2=CN(N=C2)CC3=CC=CC=C3

InChI

InChI=1S/C21H21N3O4/c1-2-27-19-11-7-6-10-18(19)23-20(25)15-28-21(26)17-12-22-24(14-17)13-16-8-4-3-5-9-16/h3-12,14H,2,13,15H2,1H3,(H,23,25)