N-[4-(Methylamino)-3-nitrobenzoyl]-N-2-pyridinyl-β-alanine ethyl ester

CAS Registry Number®

429659-01-8
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CAS Name

N-[4-(Methylamino)-3-nitrobenzoyl]-N-2-pyridinyl-β-alanine ethyl ester

Molecular Formula

C18H20N4O5

Molecular Mass

372.38

Cite this Page

N-[4-(Methylamino)-3-nitrobenzoyl]-N-2-pyridinyl-β-alanine ethyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=429659-01-8 (retrieved 2024-05-16) (CAS RN: 429659-01-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    86-88 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C18H20N4O5/c1-3-27-17(23)9-11-21(16-6-4-5-10-20-16)18(24)13-7-8-14(19-2)15(12-13)22(25)26/h4-8,10,12,19H,3,9,11H2,1-2H3

InChIKey

InChIKey=FYSFQBXGCDIVMA-UHFFFAOYSA-N

SMILES

N(C(=O)C1=CC(N(=O)=O)=C(NC)C=C1)(CCC(OCC)=O)C2=CC=CC=N2

Canonical SMILES

O=C(OCC)CCN(C(=O)C1=CC=C(NC)C(=C1)N(=O)=O)C2=NC=CC=C2

Other Names for this Substance

  • β-Alanine, N-[4-(methylamino)-3-nitrobenzoyl]-N-2-pyridinyl-, ethyl ester
  • N-[4-(Methylamino)-3-nitrobenzoyl]-N-2-pyridinyl-β-alanine ethyl ester
  • Ethyl 3-[[4-(methylamino)-3-nitrobenzoyl](pyridin-2-yl)amino]propanoate

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