CAS Registry Number: 148625-35-8

Name:

Benzoic acid, 3-​formyl-​4-​nitro-​, methyl ester
2-​Nitro-​5-​carbomethoxy benzaldehyde; 3-​Formyl-​4-​nitrobenzoic acid methyl ester; Methyl 3-​formyl-​4-​nitrobenzoate 

Chemical Formula: C9H7NO5
Exact Mass: 209.03
Molecular Weight: 209.16
m/z: 209.03 (100.0%), 210.04 (10.0%), 211.04 (1.5%)
Elemental Analysis: C, 51.68; H, 3.37; N, 6.70; O, 38.25

InChI: InChI=1S/C9H7NO5/c1-15-9(12)6-2-3-8(10(13)14)7(4-6)5-11/h2-5H,1H3
InChIKey: JHFSCEMUDKRPID-UHFFFAOYSA-N
Canonical SMILES : COC(=O)C1=CC(=C(C=C1)[N+](=O)[O-])C=O

Specification

98%

1. (1) Augustine, John Kallikat; Tetrahedron 2007, V64(4), P688-695 CAPLUS
2. (2) Ikeda, Shuhei; Chemical Communications (Cambridge, United Kingdom) 2007, (5), P504-506 CAPLUS