CAS Registry Number: 57113-89-0

Name:

Benzoic acid, 2-​amino-​6-​nitro-​, methyl ester
2-​Amino-​6-​nitrobenzoic acid methyl ester; Methyl 2-​amino-​6-​nitrobenzoate; Methyl 6-​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)7-5(9)3-2-4-6(7)10(12)13/h2-4H,9H2,1H3
InChIKey: NFPMHGVGDWXWRJ-UHFFFAOYSA-N
Canonical SMILES : COC(=O)C1=C(C=CC=C1[N+](=O)[O-])N

Specification

98%

1. (1) Rewcastle, Gordon W.; Synthesis 1985, (2), P220-2 CAPLUS