2-isocyanato-3-quinolin-6-yl-propanoic acid

Systemtic Name: 2-isocyanato-3-quinolin-6-yl-propanoic acid Openeye Name: 2-isocyanato-3-(6-quinolyl)propanoic acid CAS Name: 2-isocyanato-3-(6-quinolinyl)propanoic acid IUPAC Name: 2-isocyanato-3-quinolin-6-ylpropanoic acid Traditional Name: 2-isocyanato-3-(6-quinolyl)propionic acid Formula: C13H10N2O3 MolecularWeight: 242.2301

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC(=C2)CC(C(=O)O)N=C=O)N=C1

Isomeric SMILES

C1=CC2=C(C=CC(=C2)CC(C(=O)O)N=C=O)N=C1

InChI

InChI=1S/C13H10N2O3/c16-8-15-12(13(17)18)7-9-3-4-11-10(6-9)2-1-5-14-11/h1-6,12H,7H2,(H,17,18)