2-[(1-azanyl-2,3-dimethyl-1-oxidanylidene-butan-2-yl)carbamoyl]-7-fluoranyl-quinoline-3-carboxylic acid

Systemtic Name: 2-[(1-azanyl-2,3-dimethyl-1-oxidanylidene-butan-2-yl)carbamoyl]-7-fluoranyl-quinoline-3-carboxylic acid Openeye Name: 2-[(1-carbamoyl-1,2-dimethyl-propyl)carbamoyl]-7-fluoro-quinoline-3-carboxylic acid CAS Name: 2-[[(1-amino-2,3-dimethyl-1-oxobutan-2-yl)amino]-oxomethyl]-7-fluoro-3-quinolinecarboxylic acid IUPAC Name: 2-[(1-amino-2,3-dimethyl-1-oxobutan-2-yl)carbamoyl]-7-fluoroquinoline-3-carboxylic acid Traditional Name: 2-[(1-carbamoyl-1,2-dimethyl-propyl)carbamoyl]-7-fluoro-quinoline-3-carboxylic acid Formula: C17H18FN3O4 MolecularWeight: 347.340923

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C(=O)N)NC(=O)C1=C(C=C2C=CC(=CC2=N1)F)C(=O)O

Isomeric SMILES

CC(C)C(C)(C(=O)N)NC(=O)C1=C(C=C2C=CC(=CC2=N1)F)C(=O)O

InChI

InChI=1S/C17H18FN3O4/c1-8(2)17(3,16(19)25)21-14(22)13-11(15(23)24)6-9-4-5-10(18)7-12(9)20-13/h4-8H,1-3H3,(H2,19,25)(H,21,22)(H,23,24)