Chem
J-GLOBAL ID:200907097585881035
Nikkaji number:J434.865F
2,6-Dimethyl-5-(5,5-dimethyl-2-oxo-1,3,2-dioxaphosphorinan-2-yl)-4-(3-nitrophenyl)-3-pyridinecarboxylic acid 2-(phenylamino)ethyl ester
2,6-ジメチル-5-(5,5-ジメチル-2-オキソ-1,3,2-ジオキサホスホリナン-2-イル)-4-(3-ニトロフェニル)-3-ピリジンカルボン酸2-(フェニルアミノ)エチル
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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:
C27 H30 N2 [N+]O6 [O-]P
Molecular formula furigana:
C27-H30-N3-O7-P
Molecular weight:
539.525
InChI:
InChI=1S/C27H30N3O7P/c1-18-23(26(31)35-14-13-28-21-10-6-5-7-11-21)24(20-9-8-12-22(15-20)30(32)33)25(19(2)29-18)38(34)36-16-27(3,4)17-37-38/h5-12,15,28H,13-14,16-17H2,1-4H3
InChI key:
NNRKDTKXYXBXQG-UHFFFAOYSA-N
SMILES:
Cc1nc(C)c(c(c2cccc(c2)[N+](=O)[O-])c1C(=O)OCCNc1ccccc1)P1(=O)OCC(C)(C)CO1
Systematic name (3):
2,6-ジメチル-5-(5,5-ジメチル-2-オキソ-1,3,2-ジオキサホスホリナン-2-イル)-4-(3-ニトロフェニル)-3-ピリジンカルボン酸2-(フェニルアミノ)エチル
2-(フェニルアミノ)エチル 5-(5,5-ジメチル-2-オキソ-1,3,2λ5 -ジオキサホスフィナン-2-イル)-2,6-ジメチル-4-(3-ニトロフェニル)ピリジン-3-カルボキシラート
2-(phenylamino)ethyl 5-(5,5-dimethyl-2-oxo-1,3,2λ5 -dioxaphosphinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)pyridine-3-carboxylate
Other name (1):
2,6-Dimethyl-5-(5,5-dimethyl-2-oxo-1,3,2-dioxaphosphorinan-2-yl)-4-(3-nitrophenyl)-3-pyridinecarboxylic acid 2-(phenylamino)ethyl ester
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