4-Butyrylamino-3-methyl-5-nitrobenzoic acid methyl ester

CAS Registry Number®

152628-01-8

CAS Name

4-Butyrylamino-3-methyl-5-nitrobenzoic acid methyl ester

Molecular Formula

C13H16N2O5

Molecular Mass

280.28

Cite this Page

4-Butyrylamino-3-methyl-5-nitrobenzoic acid methyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=152628-01-8 (retrieved 2024-11-21) (CAS RN: 152628-01-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C13H16N2O5/c1-4-5-11(16)14-12-8(2)6-9(13(17)20-3)7-10(12)15(18)19/h6-7H,4-5H2,1-3H3,(H,14,16)

InChIKey

InChIKey=IGCBUUTXGYCQAI-UHFFFAOYSA-N

SMILES

N(C(CCC)=O)C1=C(N(=O)=O)C=C(C(OC)=O)C=C1C

Canonical SMILES

O=C(OC)C=1C=C(C(NC(=O)CCC)=C(C1)C)N(=O)=O

Other Names for this Substance

  • Benzoic acid, 3-methyl-5-nitro-4-[(1-oxobutyl)amino]-, methyl ester
  • 4-Butyrylamino-3-methyl-5-nitrobenzoic acid methyl ester