3-[(Methylamino)carbonyl]-5-nitrobenzoic acid

CAS Registry Number®

1954-97-8
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CAS Name

3-[(Methylamino)carbonyl]-5-nitrobenzoic acid

Molecular Formula

C9H8N2O5

Molecular Mass

224.17

Cite this Page

3-[(Methylamino)carbonyl]-5-nitrobenzoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1954-97-8 (retrieved 2024-06-17) (CAS RN: 1954-97-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    251.0-252.5 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C9H8N2O5/c1-10-8(12)5-2-6(9(13)14)4-7(3-5)11(15)16/h2-4H,1H3,(H,10,12)(H,13,14)

InChIKey

InChIKey=GVKLFFIPALKQFM-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Benzoic acid, 3-[(methylamino)carbonyl]-5-nitro-
  • Isophthalamic acid, N-methyl-5-nitro-
  • 3-[(Methylamino)carbonyl]-5-nitrobenzoic acid

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