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Home> Hot Product Listed T   > T5962472
1246213-36-4 structure

T5962472

Iupac Name:[4-tert-butyl-2-(1-methoxycarbonyloxy-2-methylpropan-2-yl)-5-nitrophenyl] methyl carbonate
CAS No.:1246213-36-4
Molecular Weight:383.397
Molecular Formula:C16H19N3O4S (isomer)
Names and Identifiers
Synonyms

2-[(1-acetyl-2,3-dihydro-1h-indol-5-yl)amino]-n-(4-nitrophenyl)propanamide AB00791187-01 MCULE-8968347674 MOLPORT-005-648-121 Z89248459

Inchi
InChI=1S/C18H25NO8/c1-17(2,3)11-8-12(18(4,5)10-26-15(20)24-6)14(27-16(21)25-7)9-13(11)19(22)23/h8-9H,10H2,1-7H3
InChkey
FDWHHOLDASTSCV-UHFFFAOYSA-N
Canonical Smiles
CC(C)(C)C1=CC(=C(C=C1[N+](=O)[O-])OC(=O)OC)C(C)(C)COC(=O)OC
Computational chemical data
  • Molecular Weight:383.397g/mol
  • Molecular Formula:C16H19N3O4S
  • Compound Is Canonicalized:True
  • Exact Mass:383.158
  • Monoisotopic Mass:383.158
  • Complexity:549
  • Rotatable Bond Count:9
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:8
  • Topological Polar Surface Area:117A^2
  • Heavy Atom Count:27
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADceB6PAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHgAEAAAADgyhmAIyzoAQRACJ AiRCSwCCCAAgIgAgiAAGbIocJiKEsJugMiBmwBkM6AfQ0PEPqAACAgAKAABQAAQEABQAAAAAAAAA AA==
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