[2-[2-(4-chloranylphenoxy)ethylamino]-2-oxidanylidene-ethyl] 4-(5-methylpyrazol-1-yl)benzoate

Systemtic Name: [2-[2-(4-chloranylphenoxy)ethylamino]-2-oxidanylidene-ethyl] 4-(5-methylpyrazol-1-yl)benzoate Openeye Name: [2-[2-(4-chlorophenoxy)ethylamino]-2-oxo-ethyl] 4-(5-methylpyrazol-1-yl)benzoate CAS Name: 4-(5-methyl-1-pyrazolyl)benzoic acid [2-[2-(4-chlorophenoxy)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-chlorophenoxy)ethylamino]-2-oxoethyl] 4-(5-methylpyrazol-1-yl)benzoate Traditional Name: 4-(5-methylpyrazol-1-yl)benzoic acid [2-[2-(4-chlorophenoxy)ethylamino]-2-keto-ethyl] ester Formula: C21H20ClN3O4 MolecularWeight: 413.8542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=NN1C2=CC=C(C=C2)C(=O)OCC(=O)NCCOC3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=CC=NN1C2=CC=C(C=C2)C(=O)OCC(=O)NCCOC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H20ClN3O4/c1-15-10-11-24-25(15)18-6-2-16(3-7-18)21(27)29-14-20(26)23-12-13-28-19-8-4-17(22)5-9-19/h2-11H,12-14H2,1H3,(H,23,26)