Chem
J-GLOBAL ID：200907044748735566   Nikkaji number：J1.270.547F

(1S)-1α-(3-Nitrophenyl)-7bβ-(2-aminoethyl)-2,2aβ,3,7b-tetrahydro-1H-cyclobuta[b]indole-2β-carboxylic acid

(1S)-1α-(3-ニトロフェニル)-7bβ-(2-アミノエチル)-2,2aβ,3,7b-テトラヒドロ-1H-シクロブタ[b]インドール-2β-カルボン酸
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C19H19N2[N+]O3[O-]
Molecular formula furigana： C19-H19-N3-O4
Molecular weight： 353.378
InChI： InChI=1S/C19H19N3O4/c20-9-8-19-13-6-1-2-7-14(13)21-17(19)15(18(23)24)16(19)11-4-3-5-12(10-11)22(25)26/h1-7,10,15-17,21H,8-9,20H2,(H,23,24)/t15-,16-,17+,19-/m1/s1
InChI key： RALVSSLJNSRAAQ-VXIBKDFQSA-N
SMILES： NCC[C@@]12[C@@H](Nc3ccccc13)[C@@H]([C@H]2c1cccc(c1)[N+](=O)[O-])C(=O)O
Systematic name  (3)：
  • (1S)-1α-(3-ニトロフェニル)-7bβ-(2-アミノエチル)-2,2aβ,3,7b-テトラヒドロ-1H-シクロブタ[b]インドール-2β-カルボン酸
  • (1S,2R,2aS,7bS)-7b-(2-アミノエチル)-1-(3-ニトロフェニル)-1H,2H,2aH,3H,7bH-シクロブタ[b]インドール-2-カルボン酸
  • (1S,2R,2aS,7bS)-7b-(2-aminoethyl)-1-(3-nitrophenyl)-1H,2H,2aH,3H,7bH-cyclobuta[b]indole-2-carboxylic acid
Other name (1)：
  • (1S)-1α-(3-Nitrophenyl)-7bβ-(2-aminoethyl)-2,2aβ,3,7b-tetrahydro-1H-cyclobuta[b]indole-2β-carboxylic acid
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