7-[3-(aminomethyl)phenyl]-1-ethyl-6,8-bis(fluoranyl)-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-[3-(aminomethyl)phenyl]-1-ethyl-6,8-bis(fluoranyl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[3-(aminomethyl)phenyl]-1-ethyl-6,8-difluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[3-(aminomethyl)phenyl]-1-ethyl-6,8-difluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[3-(aminomethyl)phenyl]-1-ethyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[3-(aminomethyl)phenyl]-1-ethyl-6,8-difluoro-4-keto-quinoline-3-carboxylic acid Formula: C19H16F2N2O3 MolecularWeight: 358.338746

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C(=C21)F)C3=CC(=CC=C3)CN)F)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C(=C21)F)C3=CC(=CC=C3)CN)F)C(=O)O

InChI

InChI=1S/C19H16F2N2O3/c1-2-23-9-13(19(25)26)18(24)12-7-14(20)15(16(21)17(12)23)11-5-3-4-10(6-11)8-22/h3-7,9H,2,8,22H2,1H3,(H,25,26)