CAS Registry Number: 153813-69-5

Name:

Benzoic acid, 4-​formyl-​3-​nitro-​, methyl ester
4-​Formyl-​3-​nitrobenzoic acid methyl ester; 4-​Methoxycarbonyl-​2-​nitrobenzaldehyde; Methyl 4-​formyl-​3-​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)6-2-3-7(5-11)8(4-6)10(13)14/h2-5H,1H3
InChIKey: WGOOPYYIMZJWMA-UHFFFAOYSA-N
Canonical SMILES : COC(=O)C1=CC(=C(C=C1)C=O)[N+](=O)[O-]

Specification

98%

1. (1) Ditrich, K.; Science of Synthesis 2007, V25, P523-530 CAPLUS