CAS Registry Number®
1330286-54-8
Molecular Formula
C17H19N5O8.C3H8OCite this Page
. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=1330286-54-8 (retrieved ) (CAS RN: 1330286-54-8). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C17H19N5O8.C3H8O/c1-17(2,3)30-16(25)19-12(15(23)24)6-10-8-20(9-18-10)13-5-4-11(21(26)27)7-14(13)22(28)29;1-3(2)4/h4-5,7-9,12H,6H2,1-3H3,(H,19,25)(H,23,24);3-4H,1-2H3/t12-;/m1./s1
InChIKey
InChIKey=KLRRDIHKQFOOJR-UTONKHPSSA-N
SMILES
N(=O)(=O)C1=C(C=CC(N(=O)=O)=C1)N2C=C(C[C@@H](NC(OC(C)(C)C)=O)C(O)=O)N=C2.C(C)(C)O
Canonical SMILES
O=C(OC(C)(C)C)NC(C(=O)O)CC=1N=CN(C1)C2=CC=C(C=C2N(=O)=O)N(=O)=O.OC(C)C
