5-METHYL-4-[(4-NITRO-1H-PYRAZOL-1-YL)METHYL]ISOXAZOLE-3-CARBOXYLIC ACID

CAS No.
956758-72-8
CCD No.
CCD00547200
Formula
C9 H8 N4 O5
MolWeight
252.185

Basic Information

Product Name: 5-METHYL-4-[(4-NITRO-1H-PYRAZOL-1-YL)METHYL]ISOXAZOLE-3-CARBOXYLIC ACID
CAS: 956758-72-8
English Synonyms: 5-METHYL-4-(4-NITRO-PYRAZOL-1-YLMETHYL)-ISOXAZOLE-3-CARBOXYLIC ACID ; 5-METHYL-4-[(4-NITRO-1H-PYRAZOL-1-YL)METHYL]ISOXAZOLE-3-CARBOXYLIC ACID ; 5-METHYL-4-[(4-NITRO-1H-PYRAZOL-1-YL)METHYL]-1,2-OXAZOLE-3-CARBOXYLIC ACID ; 5-METHYL-4-[(4-NITRO-1H-PYRAZOL-1-YL)METHYL]-3-ISOXAZOLECARBOXYLIC ACID
MDL Number.: MFCD06653271
H bond acceptor: 9
H bond donor: 1
Smile: Cc1c(c(no1)C(=O)O)Cn2cc(cn2)[N+](=O)[O-]
InChi: InChI=1S/C9H8N4O5/c1-5-7(8(9(14)15)11-18-5)4-12-3-6(2-10-12)13(16)17/h2-3H,4H2,1H3,(H,14,15)
InChiKey: InChIKey=ISCOXEHSPHPMGP-UHFFFAOYSA-N

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