3-pyridazin-3-ylpropanoic acid; trimethyl-[2-(2,4,6-trinitrophenoxy)ethyl]azanium

Systemtic Name: 3-pyridazin-3-ylpropanoic acid; trimethyl-[2-(2,4,6-trinitrophenoxy)ethyl]azanium Openeye Name: 3-pyridazin-3-ylpropanoic acid; trimethyl-[2-(2,4,6-trinitrophenoxy)ethyl]ammonium CAS Name: 3-(3-pyridazinyl)propanoic acid; trimethyl-[2-(2,4,6-trinitrophenoxy)ethyl]ammonium IUPAC Name: 3-pyridazin-3-ylpropanoic acid; trimethyl-[2-(2,4,6-trinitrophenoxy)ethyl]azanium Traditional Name: 3-pyridazin-3-ylpropionic acid; trimethyl-[2-(2,4,6-trinitrophenoxy)ethyl]ammonium Formula: C18H23N6O9+ MolecularWeight: 467.41002

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CCOC1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-].C1=CC(=NN=C1)CCC(=O)O

Isomeric SMILES

C[N+](C)(C)CCOC1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-].C1=CC(=NN=C1)CCC(=O)O

InChI

InChI=1S/C11H15N4O7.C7H8N2O2/c1-15(2,3)4-5-22-11-9(13(18)19)6-8(12(16)17)7-10(11)14(20)21;10-7(11)4-3-6-2-1-5-8-9-6/h6-7H,4-5H2,1-3H3;1-2,5H,3-4H2,(H,10,11)/q+1;