Products 64917-85-7

CAS 64917-85-7 is the registry number for NBDA. Offered by: MedChemExpress. Available pack sizes: Get quote.

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Structural formula: {0} (CAS {1})

(2S)-2-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]propanoic acid (CAS 64917-85-7) is a chemical compound with the molecular formula C9H8N4O5 and a molecular weight of 252.18 g/mol. IUPAC name: (2S)-2-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]propanoic acid. InChIKey: KWAIYUDRTUOOPG-BYPYZUCNSA-N.

Identity
Molecular formulaC9H8N4O5
Molecular weight252.18 g/mol
IUPAC name(2S)-2-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]propanoic acid
InChIKeyKWAIYUDRTUOOPG-BYPYZUCNSA-N
SMILESC[C@@H](C(=O)O)NC1=CC=C(C2=NON=C12)[N+](=O)[O-]

Computed by PubChem (NCBI)

Synonyms: Nitrobenzoxadiazolealanine, 4-(alpha-N-L-Alanine)-7-nitrobenz-2-oxa-1,3-diazole, L-Alanine, N-(7-nitro-4-benzofurazanyl)-, NBDA, orb1985534
Isomers (same molecular formula)
5-(aziridin-1-yl)-2,4-dinitrobenzamide C9H8N4O5
5-methyl-4-[(3-nitropyrazol-1-yl)methyl]-1,2-oxazole-3-carboxylic acid C9H8N4O5
5-methyl-4-[(4-nitropyrazol-1-yl)methyl]-1,2-oxazole-3-carboxylic acid C9H8N4O5
1,3-dimethyl-2,4,7-trioxo-8H-pteridine-6-carboxylic acid C9H8N4O5
3-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]propanoic acid C9H8N4O5

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