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

Systemtic Name: 2-[(1-azanyl-2,3-dimethyl-1-oxidanylidene-butan-2-yl)carbamoyl]quinoline-3-carboxylic acid Openeye Name: 2-[(1-carbamoyl-1,2-dimethyl-propyl)carbamoyl]quinoline-3-carboxylic acid CAS Name: 2-[[(1-amino-2,3-dimethyl-1-oxobutan-2-yl)amino]-oxomethyl]-3-quinolinecarboxylic acid IUPAC Name: 2-[(1-amino-2,3-dimethyl-1-oxobutan-2-yl)carbamoyl]quinoline-3-carboxylic acid Traditional Name: 2-[(1-carbamoyl-1,2-dimethyl-propyl)carbamoyl]quinoline-3-carboxylic acid Formula: C17H19N3O4 MolecularWeight: 329.35046

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C(=O)N)NC(=O)C1=NC2=CC=CC=C2C=C1C(=O)O

Isomeric SMILES

CC(C)C(C)(C(=O)N)NC(=O)C1=NC2=CC=CC=C2C=C1C(=O)O

InChI

InChI=1S/C17H19N3O4/c1-9(2)17(3,16(18)24)20-14(21)13-11(15(22)23)8-10-6-4-5-7-12(10)19-13/h4-9H,1-3H3,(H2,18,24)(H,20,21)(H,22,23)