CAS Registry Number: 200195-15-9

Name:

2H-​1,​4-​Benzoxazine-​6-​carboxaldehyde, 3,​4-​dihydro-​3-​oxo-
3-​Oxo-​3,​4-​dihydro-​2H-​1,​4-​benzoxazine-​6-​carboxaldehyde; 3-​Oxo-​3,​4-​dihydro-​2H-​benzo[1,​4]​oxazin-​6-​carboxaldehyde; 3-​Oxo-​3,​4-​dihydro-​2H-​benzo[1,​4]​oxazine-​6-​carboxaldehyde; 3-​Oxo-​3,​4-​dihydro-​2H-​benzo[b]​[1,​4]​oxazine-​6-​carboxaldehyde; 6-​Formyl-​4H-​benzo[1,​4]​oxazin-​3-​one 

Chemical Formula: C9H7NO3
Exact Mass: 177.04
Molecular Weight: 177.16
m/z: 177.04 (100.0%), 178.05 (9.9%), 179.05 (1.1%)
Elemental Analysis: C, 61.02; H, 3.98; N, 7.91; O, 27.09

InChI: InChI=1S/C9H7NO3/c11-4-6-1-2-8-7(3-6)10-9(12)5-13-8/h1-4H,5H2,(H,10,12)
InChIKey: VHKABBARGFUYOF-UHFFFAOYSA-N
Canonical SMILES : C1C(=O)NC2=C(O1)C=CC(=C2)C=O

Specification

98%

1. (1) Lanni, Thomas B.; Bioorganic & Medicinal Chemistry Letters 2007, V17(3), P756-760 CAPLUS
2. (2) Belliotti, Thomas R.; Journal of Medicinal Chemistry 1999, V42(25), P5181-5187 CAPLUS