2-[3-[(3-chloranyl-4-fluoranyl-phenyl)amino]-3-oxidanylidene-propyl]pyrazole-3-carboxylic acid

Systemtic Name: 2-[3-[(3-chloranyl-4-fluoranyl-phenyl)amino]-3-oxidanylidene-propyl]pyrazole-3-carboxylic acid Openeye Name: 2-[3-(3-chloro-4-fluoro-anilino)-3-oxo-propyl]pyrazole-3-carboxylic acid CAS Name: 2-[3-(3-chloro-4-fluoroanilino)-3-oxopropyl]-3-pyrazolecarboxylic acid IUPAC Name: 2-[3-(3-chloro-4-fluoroanilino)-3-oxopropyl]pyrazole-3-carboxylic acid Traditional Name: 2-[3-(3-chloro-4-fluoro-anilino)-3-keto-propyl]pyrazole-3-carboxylic acid Formula: C13H11ClFN3O3 MolecularWeight: 311.696143

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC(=O)CCN2C(=CC=N2)C(=O)O)Cl)F

Isomeric SMILES

C1=CC(=C(C=C1NC(=O)CCN2C(=CC=N2)C(=O)O)Cl)F

InChI

InChI=1S/C13H11ClFN3O3/c14-9-7-8(1-2-10(9)15)17-12(19)4-6-18-11(13(20)21)3-5-16-18/h1-3,5,7H,4,6H2,(H,17,19)(H,20,21)