[1-(aminocarbonylamino)-1-oxidanylidene-propan-2-yl] quinoline-2-carboxylate

Systemtic Name: [1-(aminocarbonylamino)-1-oxidanylidene-propan-2-yl] quinoline-2-carboxylate Openeye Name: (1-methyl-2-oxo-2-ureido-ethyl) quinoline-2-carboxylate CAS Name: 2-quinolinecarboxylic acid [1-(carbamoylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(carbamoylamino)-1-oxopropan-2-yl] quinoline-2-carboxylate Traditional Name: quinaldic acid (2-keto-1-methyl-2-ureido-ethyl) ester Formula: C14H13N3O4 MolecularWeight: 287.27072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13N3O4/c1-8(12(18)17-14(15)20)21-13(19)11-7-6-9-4-2-3-5-10(9)16-11/h2-8H,1H3,(H3,15,17,18,20)