[2-[[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]amino]-2-oxidanylidene-ethyl] 3-cyanobenzoate

Systemtic Name: [2-[[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]amino]-2-oxidanylidene-ethyl] 3-cyanobenzoate Openeye Name: [2-[[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]amino]-2-oxo-ethyl] 3-cyanobenzoate CAS Name: 3-cyanobenzoic acid [2-[[2-[(2-chlorophenyl)methyl]-3-pyrazolyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]amino]-2-oxoethyl] 3-cyanobenzoate Traditional Name: 3-cyanobenzoic acid [2-[[2-(2-chlorobenzyl)pyrazol-3-yl]amino]-2-keto-ethyl] ester Formula: C20H15ClN4O3 MolecularWeight: 394.8111

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CN2C(=CC=N2)NC(=O)COC(=O)C3=CC=CC(=C3)C#N)Cl

Isomeric SMILES

C1=CC=C(C(=C1)CN2C(=CC=N2)NC(=O)COC(=O)C3=CC=CC(=C3)C#N)Cl

InChI

InChI=1S/C20H15ClN4O3/c21-17-7-2-1-5-16(17)12-25-18(8-9-23-25)24-19(26)13-28-20(27)15-6-3-4-14(10-15)11-22/h1-10H,12-13H2,(H,24,26)