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 acidMolecular Formula
C18H18N2O5Molecular Mass
342.35Cite 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 ) (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