3-[2-[(3-chloranyl-4-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl]-1-ethyl-indole-2-carboxylic acid

Systemtic Name: 3-[2-[(3-chloranyl-4-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl]-1-ethyl-indole-2-carboxylic acid Openeye Name: 3-[2-(3-chloro-4-fluoro-anilino)-2-oxo-ethyl]-1-ethyl-indole-2-carboxylic acid CAS Name: 3-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-1-ethyl-2-indolecarboxylic acid IUPAC Name: 3-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-1-ethylindole-2-carboxylic acid Traditional Name: 3-[2-(3-chloro-4-fluoro-anilino)-2-keto-ethyl]-1-ethyl-indole-2-carboxylic acid Formula: C19H16ClFN2O3 MolecularWeight: 374.793343

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2C(=C1C(=O)O)CC(=O)NC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

CCN1C2=CC=CC=C2C(=C1C(=O)O)CC(=O)NC3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C19H16ClFN2O3/c1-2-23-16-6-4-3-5-12(16)13(18(23)19(25)26)10-17(24)22-11-7-8-15(21)14(20)9-11/h3-9H,2,10H2,1H3,(H,22,24)(H,25,26)