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

Systemtic Name: [2-[[5-(4-chlorophenyl)-2-methyl-pyrazol-3-yl]amino]-2-oxidanylidene-ethyl] 4-methylbenzoate Openeye Name: [2-[[5-(4-chlorophenyl)-2-methyl-pyrazol-3-yl]amino]-2-oxo-ethyl] 4-methylbenzoate CAS Name: 4-methylbenzoic 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] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [2-[[5-(4-chlorophenyl)-2-methyl-pyrazol-3-yl]amino]-2-keto-ethyl] ester Formula: C20H18ClN3O3 MolecularWeight: 383.82822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OCC(=O)NC2=CC(=NN2C)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OCC(=O)NC2=CC(=NN2C)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H18ClN3O3/c1-13-3-5-15(6-4-13)20(26)27-12-19(25)22-18-11-17(23-24(18)2)14-7-9-16(21)10-8-14/h3-11H,12H2,1-2H3,(H,22,25)