2-[(1-azanyl-2,3-dimethyl-1-oxidanylidene-butan-2-yl)carbamoyl]-5-chloranyl-6-fluoranyl-quinoline-3-carboxylic acid

Systemtic Name: 2-[(1-azanyl-2,3-dimethyl-1-oxidanylidene-butan-2-yl)carbamoyl]-5-chloranyl-6-fluoranyl-quinoline-3-carboxylic acid Openeye Name: 2-[(1-carbamoyl-1,2-dimethyl-propyl)carbamoyl]-5-chloro-6-fluoro-quinoline-3-carboxylic acid CAS Name: 2-[[(1-amino-2,3-dimethyl-1-oxobutan-2-yl)amino]-oxomethyl]-5-chloro-6-fluoro-3-quinolinecarboxylic acid IUPAC Name: 2-[(1-amino-2,3-dimethyl-1-oxobutan-2-yl)carbamoyl]-5-chloro-6-fluoroquinoline-3-carboxylic acid Traditional Name: 2-[(1-carbamoyl-1,2-dimethyl-propyl)carbamoyl]-5-chloro-6-fluoro-quinoline-3-carboxylic acid Formula: C17H17ClFN3O4 MolecularWeight: 381.785983

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C(=O)N)NC(=O)C1=C(C=C2C(=N1)C=CC(=C2Cl)F)C(=O)O

Isomeric SMILES

CC(C)C(C)(C(=O)N)NC(=O)C1=C(C=C2C(=N1)C=CC(=C2Cl)F)C(=O)O

InChI

InChI=1S/C17H17ClFN3O4/c1-7(2)17(3,16(20)26)22-14(23)13-9(15(24)25)6-8-11(21-13)5-4-10(19)12(8)18/h4-7H,1-3H3,(H2,20,26)(H,22,23)(H,24,25)