Chem
J-GLOBAL ID:200907033730175766
Nikkaji number:J509.481J
5-[4-(1H-Tetrazol-5-yl)benzoylamino]isophthalic acid
5-[4-(1H-テトラゾール-5-イル)ベンゾイルアミノ]イソフタル酸
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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:
C16 H11 N5 O5
Molecular formula furigana:
C16-H11-N5-O5
Molecular weight:
353.294
InChI:
InChI=1S/C16H11N5O5/c22-14(9-3-1-8(2-4-9)13-18-20-21-19-13)17-12-6-10(15(23)24)5-11(7-12)16(25)26/h1-7H,(H,17,22)(H,23,24)(H,25,26)(H,18,19,20,21)
InChI key:
MZANYOWNSQCYFY-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(NC(=O)c2ccc(cc2)c2nnn[nH]2)cc(c1)C(=O)O
Systematic name (3):
5-[4-(1H-テトラゾール-5-イル)ベンゾイルアミノ]イソフタル酸
5-[4-(1H-1,2,3,4-テトラゾール-5-イル)ベンズアミド]ベンゼン-1,3-ジカルボン酸
5-[4-(1H-1,2,3,4-tetrazol-5-yl)benzamido]benzene-1,3-dicarboxylic acid
Other name (1):
5-[4-(1H-Tetrazol-5-yl)benzoylamino]isophthalic acid
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