1-[1-(2-nitrophenoxy)ethyl]-1-propan-2-yl-guanidine; 2-oxidanylpropane-1,2,3-tricarboxylate

Systemtic Name: 1-[1-(2-nitrophenoxy)ethyl]-1-propan-2-yl-guanidine; 2-oxidanylpropane-1,2,3-tricarboxylate Openeye Name: 1-isopropyl-1-[1-(2-nitrophenoxy)ethyl]guanidine citrate CAS Name: 2-hydroxypropane-1,2,3-tricarboxylate; 1-[1-(2-nitrophenoxy)ethyl]-1-propan-2-ylguanidine IUPAC Name: 2-hydroxypropane-1,2,3-tricarboxylate; 1-[1-(2-nitrophenoxy)ethyl]-1-propan-2-ylguanidine Traditional Name: 1-isopropyl-1-[1-(2-nitrophenoxy)ethyl]guanidine citrate Formula: C18H23N4O10-3 MolecularWeight: 455.39602

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C(C)OC1=CC=CC=C1[N+](=O)[O-])C(=N)N.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

Isomeric SMILES

CC(C)N(C(C)OC1=CC=CC=C1[N+](=O)[O-])C(=N)N.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

InChI

InChI=1S/C12H18N4O3.C6H8O7/c1-8(2)15(12(13)14)9(3)19-11-7-5-4-6-10(11)16(17)18;7-3(8)1-6(13,5(11)12)2-4(9)10/h4-9H,1-3H3,(H3,13,14);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-3