β-Methyl-3-nitro-γ-oxo-4-[(phenylmethyl)amino]benzenebutanoic acid

CAS Registry Number®

85633-97-2
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CAS Name

β-Methyl-3-nitro-γ-oxo-4-[(phenylmethyl)amino]benzenebutanoic acid

Molecular Formula

C18H18N2O5

Molecular Mass

342.35

Cite this Page

β-Methyl-3-nitro-γ-oxo-4-[(phenylmethyl)amino]benzenebutanoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=85633-97-2 (retrieved 2024-09-10) (CAS RN: 85633-97-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C18H18N2O5/c1-12(9-17(21)22)18(23)14-7-8-15(16(10-14)20(24)25)19-11-13-5-3-2-4-6-13/h2-8,10,12,19H,9,11H2,1H3,(H,21,22)

InChIKey

InChIKey=HCYHXOPBBIFXGL-UHFFFAOYSA-N

SMILES

N(CC1=CC=CC=C1)C2=C(N(=O)=O)C=C(C(C(CC(O)=O)C)=O)C=C2

Canonical SMILES

O=C(O)CC(C(=O)C1=CC=C(NCC=2C=CC=CC2)C(=C1)N(=O)=O)C

Other Names for this Substance

  • Benzenebutanoic acid, β-methyl-3-nitro-γ-oxo-4-[(phenylmethyl)amino]-
  • β-Methyl-3-nitro-γ-oxo-4-[(phenylmethyl)amino]benzenebutanoic acid
  • 4-(4-(Benzylamino)-3-nitrophenyl)-3-methyl-4-oxobutanoic acid