7-fluoranyl-6-isocyanato-4-(pyridin-2-ylmethyl)-1,4-benzoxazin-3-one hydrochloride

Systemtic Name: 7-fluoranyl-6-isocyanato-4-(pyridin-2-ylmethyl)-1,4-benzoxazin-3-one hydrochloride Openeye Name: 7-fluoro-6-isocyanato-4-(2-pyridylmethyl)-1,4-benzoxazin-3-one hydrochloride CAS Name: 7-fluoro-6-isocyanato-4-(2-pyridinylmethyl)-1,4-benzoxazin-3-one hydrochloride IUPAC Name: 7-fluoro-6-isocyanato-4-(pyridin-2-ylmethyl)-1,4-benzoxazin-3-one hydrochloride Traditional Name: 7-fluoro-6-isocyanato-4-(2-pyridylmethyl)-1,4-benzoxazin-3-one hydrochloride Formula: C15H11ClFN3O3 MolecularWeight: 335.717543

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(C2=C(O1)C=C(C(=C2)N=C=O)F)CC3=CC=CC=N3.Cl

Isomeric SMILES

C1C(=O)N(C2=C(O1)C=C(C(=C2)N=C=O)F)CC3=CC=CC=N3.Cl

InChI

InChI=1S/C15H10FN3O3.ClH/c16-11-5-14-13(6-12(11)18-9-20)19(15(21)8-22-14)7-10-3-1-2-4-17-10;/h1-6H,7-8H2;1H