Methyl 3-[(1-methylethyl)amino]-4-nitrobenzoate

CAS Registry Number®

1400645-23-9
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CAS Name

Methyl 3-[(1-methylethyl)amino]-4-nitrobenzoate

Molecular Formula

C11H14N2O4

Molecular Mass

238.24

Cite this Page

Methyl 3-[(1-methylethyl)amino]-4-nitrobenzoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1400645-23-9 (retrieved 2024-08-07) (CAS RN: 1400645-23-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C11H14N2O4/c1-7(2)12-9-6-8(11(14)17-3)4-5-10(9)13(15)16/h4-7,12H,1-3H3

InChIKey

InChIKey=BTXXKLFDNHKKPJ-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Benzoic acid, 3-[(1-methylethyl)amino]-4-nitro-, methyl ester
  • Methyl 3-[(1-methylethyl)amino]-4-nitrobenzoate