[2-[[5-(4-chlorophenyl)-2-methyl-pyrazol-3-yl]amino]-2-oxidanylidene-ethyl] 2-ethoxybenzoate

Systemtic Name: [2-[[5-(4-chlorophenyl)-2-methyl-pyrazol-3-yl]amino]-2-oxidanylidene-ethyl] 2-ethoxybenzoate Openeye Name: [2-[[5-(4-chlorophenyl)-2-methyl-pyrazol-3-yl]amino]-2-oxo-ethyl] 2-ethoxybenzoate CAS Name: 2-ethoxybenzoic acid [2-[[5-(4-chlorophenyl)-2-methyl-3-pyrazolyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[5-(4-chlorophenyl)-2-methylpyrazol-3-yl]amino]-2-oxoethyl] 2-ethoxybenzoate Traditional Name: 2-ethoxybenzoic acid [2-[[5-(4-chlorophenyl)-2-methyl-pyrazol-3-yl]amino]-2-keto-ethyl] ester Formula: C21H20ClN3O4 MolecularWeight: 413.8542

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C(=O)OCC(=O)NC2=CC(=NN2C)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC1=CC=CC=C1C(=O)OCC(=O)NC2=CC(=NN2C)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H20ClN3O4/c1-3-28-18-7-5-4-6-16(18)21(27)29-13-20(26)23-19-12-17(24-25(19)2)14-8-10-15(22)11-9-14/h4-12H,3,13H2,1-2H3,(H,23,26)