CAS Registry Number: 57113-91-4

Name:

Benzoic acid, 2-​amino-​3-​nitro-​, methyl ester
Anthranilic acid, 3-​nitro-​, methyl ester (7CI); 2-​Amino-​3-​nitrobenzoic acid methyl ester; Methyl 2-​Amino-​3-​nitrobenzoate; Methyl 3-​nitroanthranilate 

Chemical Formula: C8H8N2O4
Exact Mass: 196.05
Molecular Weight: 196.16
m/z: 196.05 (100.0%), 197.05 (9.6%)
Elemental Analysis: C, 48.98; H, 4.11; N, 14.28; O, 32.63

InChI: InChI=1S/C8H8N2O4/c1-14-8(11)5-3-2-4-6(7(5)9)10(12)13/h2-4H,9H2,1H3
InChIKey: HDCLJQZLTMJECA-UHFFFAOYSA-N
Canonical SMILES : COC(=O)C1=C(C(=CC=C1)[N+](=O)[O-])N

Specification

98%

1. (1) Huang, Shu-Ting; Bioorganic & Medicinal Chemistry 2006, V14(17), P6106-6119 CAPLUS
2. (2) Porcs-Makkay, Marta; Organic Process Research & Development 2007, V11(3), P490-493 CAPLUS
3. (3) WSS: Spectral data were obtained from Wiley Subscription Services, Inc. (US)
4. (4) White, Alex W.; Journal of Medicinal Chemistry 2000, V43(22), P4084-4097 CAPLUS