[2-[[2,5-bis(chloranyl)phenyl]amino]-2-oxidanylidene-ethyl] 4-pyrazol-1-ylbenzoate

Systemtic Name: [2-[[2,5-bis(chloranyl)phenyl]amino]-2-oxidanylidene-ethyl] 4-pyrazol-1-ylbenzoate Openeye Name: [2-(2,5-dichloroanilino)-2-oxo-ethyl] 4-pyrazol-1-ylbenzoate CAS Name: 4-(1-pyrazolyl)benzoic acid [2-(2,5-dichloroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dichloroanilino)-2-oxoethyl] 4-pyrazol-1-ylbenzoate Traditional Name: 4-pyrazol-1-ylbenzoic acid [2-(2,5-dichloroanilino)-2-keto-ethyl] ester Formula: C18H13Cl2N3O3 MolecularWeight: 390.22012

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(N=C1)C2=CC=C(C=C2)C(=O)OCC(=O)NC3=C(C=CC(=C3)Cl)Cl

Isomeric SMILES

C1=CN(N=C1)C2=CC=C(C=C2)C(=O)OCC(=O)NC3=C(C=CC(=C3)Cl)Cl

InChI

InChI=1S/C18H13Cl2N3O3/c19-13-4-7-15(20)16(10-13)22-17(24)11-26-18(25)12-2-5-14(6-3-12)23-9-1-8-21-23/h1-10H,11H2,(H,22,24)