Catalog Number:
AG00HI2Q
Chemical Name:
7,8-Dihydro-4h,6h-1,5,8a-triaza-azulene-5,7-dicarboxylic acid 5-tert-butyl ester
CAS Number:
1251017-61-4
Molecular Formula:
C13H19N3O4
Molecular Weight:
281.3077
MDL Number:
MFCD18792193
IUPAC Name:
5-[(2-methylpropan-2-yl)oxycarbonyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-7-carboxylic acid
InChI:
InChI=1S/C13H19N3O4/c1-13(2,3)20-12(19)15-6-9(11(17)18)7-16-10(8-15)4-5-14-16/h4-5,9H,6-8H2,1-3H3,(H,17,18)
InChI Key:
NIRFFGUWLCEYLP-UHFFFAOYSA-N
SMILES:
OC(=O)C1CN(Cc2n(C1)ncc2)C(=O)OC(C)(C)C
