trimethyl-[2-[(E)-3-pyridazin-3-ylprop-2-enoyl]oxyethyl]azanium; 2,4,6-trinitrophenolate

Systemtic Name: trimethyl-[2-[(E)-3-pyridazin-3-ylprop-2-enoyl]oxyethyl]azanium; 2,4,6-trinitrophenolate Openeye Name: trimethyl-[2-[(E)-3-pyridazin-3-ylprop-2-enoyl]oxyethyl]ammonium; 2,4,6-trinitrophenolate CAS Name: trimethyl-[2-[(E)-1-oxo-3-(3-pyridazinyl)prop-2-enoxy]ethyl]ammonium; 2,4,6-trinitrophenolate IUPAC Name: trimethyl-[2-[(E)-3-pyridazin-3-ylprop-2-enoyl]oxyethyl]azanium; 2,4,6-trinitrophenolate Traditional Name: trimethyl-[2-[(E)-3-pyridazin-3-ylacryloyl]oxyethyl]ammonium picrate Formula: C18H20N6O9 MolecularWeight: 464.3862

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CCOC(=O)C=CC1=NN=CC=C1.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C[N+](C)(C)CCOC(=O)/C=C/C1=NN=CC=C1.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H18N3O2.C6H3N3O7/c1-15(2,3)9-10-17-12(16)7-6-11-5-4-8-13-14-11;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h4-8H,9-10H2,1-3H3;1-2,10H/q+1;/p-1/b7-6+;