[2-[(4-ethoxyphenyl)amino]-2-oxidanylidene-ethyl] 4-(5-methylpyrazol-1-yl)benzoate

Systemtic Name: [2-[(4-ethoxyphenyl)amino]-2-oxidanylidene-ethyl] 4-(5-methylpyrazol-1-yl)benzoate Openeye Name: [2-(4-ethoxyanilino)-2-oxo-ethyl] 4-(5-methylpyrazol-1-yl)benzoate CAS Name: 4-(5-methyl-1-pyrazolyl)benzoic acid [2-(4-ethoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-ethoxyanilino)-2-oxoethyl] 4-(5-methylpyrazol-1-yl)benzoate Traditional Name: 4-(5-methylpyrazol-1-yl)benzoic acid [2-keto-2-(p-phenetidino)ethyl] ester Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)COC(=O)C2=CC=C(C=C2)N3C(=CC=N3)C

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)COC(=O)C2=CC=C(C=C2)N3C(=CC=N3)C

InChI

InChI=1S/C21H21N3O4/c1-3-27-19-10-6-17(7-11-19)23-20(25)14-28-21(26)16-4-8-18(9-5-16)24-15(2)12-13-22-24/h4-13H,3,14H2,1-2H3,(H,23,25)