Benzoic acid, 4-amino-3-methyl-5-nitro-, methyl ester

CAS Registry Number®

668276-44-6
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CAS Name

Benzoic acid, 4-amino-3-methyl-5-nitro-, methyl ester

Molecular Formula

C9H10N2O4

Molecular Mass

210.19

Cite this Page

Benzoic acid, 4-amino-3-methyl-5-nitro-, methyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=668276-44-6 (retrieved 2024-09-10) (CAS RN: 668276-44-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C9H10N2O4/c1-5-3-6(9(12)15-2)4-7(8(5)10)11(13)14/h3-4H,10H2,1-2H3

InChIKey

InChIKey=DCBDOCUUDHFUSW-UHFFFAOYSA-N

SMILES

C(OC)(=O)C1=CC(N(=O)=O)=C(N)C(C)=C1

Canonical SMILES

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

Other Names for this Substance

  • Benzoic acid, 4-amino-3-methyl-5-nitro-, methyl ester
  • Methyl 4-amino-3-methyl-5-nitrobenzoate
  • 3-Nitro-4-amino-5-methylbenzoic acid methyl ester