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

Systemtic Name: 2-[3-[(4-fluoranyl-2-methyl-phenyl)amino]-3-oxidanylidene-propyl]pyrazole-3-carboxylic acid Openeye Name: 2-[3-(4-fluoro-2-methyl-anilino)-3-oxo-propyl]pyrazole-3-carboxylic acid CAS Name: 2-[3-(4-fluoro-2-methylanilino)-3-oxopropyl]-3-pyrazolecarboxylic acid IUPAC Name: 2-[3-(4-fluoro-2-methylanilino)-3-oxopropyl]pyrazole-3-carboxylic acid Traditional Name: 2-[3-(4-fluoro-2-methyl-anilino)-3-keto-propyl]pyrazole-3-carboxylic acid Formula: C14H14FN3O3 MolecularWeight: 291.277663

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)F)NC(=O)CCN2C(=CC=N2)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)F)NC(=O)CCN2C(=CC=N2)C(=O)O

InChI

InChI=1S/C14H14FN3O3/c1-9-8-10(15)2-3-11(9)17-13(19)5-7-18-12(14(20)21)4-6-16-18/h2-4,6,8H,5,7H2,1H3,(H,17,19)(H,20,21)