Methyl 2-[2-(1-methylethyl)-4-(phenylmethyl)-1-piperazinyl]-5-nitrobenzoate

CAS Registry Number®

1242268-07-0
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CAS Name

Methyl 2-[2-(1-methylethyl)-4-(phenylmethyl)-1-piperazinyl]-5-nitrobenzoate

Molecular Formula

C22H27N3O4

Molecular Mass

397.47

Cite this Page

Methyl 2-[2-(1-methylethyl)-4-(phenylmethyl)-1-piperazinyl]-5-nitrobenzoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1242268-07-0 (retrieved 2024-06-26) (CAS RN: 1242268-07-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C22H27N3O4/c1-16(2)21-15-23(14-17-7-5-4-6-8-17)11-12-24(21)20-10-9-18(25(27)28)13-19(20)22(26)29-3/h4-10,13,16,21H,11-12,14-15H2,1-3H3

InChIKey

InChIKey=AHAURRPMZVUDDQ-UHFFFAOYSA-N

SMILES

C(OC)(=O)C1=C(C=CC(N(=O)=O)=C1)N2C(C(C)C)CN(CC3=CC=CC=C3)CC2

Canonical SMILES

O=C(OC)C1=CC(=CC=C1N2CCN(CC=3C=CC=CC3)CC2C(C)C)N(=O)=O

Other Names for this Substance

  • Benzoic acid, 2-[2-(1-methylethyl)-4-(phenylmethyl)-1-piperazinyl]-5-nitro-, methyl ester
  • Methyl 2-[2-(1-methylethyl)-4-(phenylmethyl)-1-piperazinyl]-5-nitrobenzoate

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