1-[(E)-4-(4-fluorophenyl)but-3-en-2-yl]-1,2,4-triazole nitrate

Systemtic Name: 1-[(E)-4-(4-fluorophenyl)but-3-en-2-yl]-1,2,4-triazole nitrate Openeye Name: 1-[(E)-3-(4-fluorophenyl)-1-methyl-allyl]-1,2,4-triazole nitrate CAS Name: 1-[(E)-4-(4-fluorophenyl)but-3-en-2-yl]-1,2,4-triazole nitrate IUPAC Name: 1-[(E)-4-(4-fluorophenyl)but-3-en-2-yl]-1,2,4-triazole nitrate Traditional Name: 1-[(E)-3-(4-fluorophenyl)-1-methyl-allyl]-1,2,4-triazole nitrate Formula: C12H12FN4O3- MolecularWeight: 279.247083

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Descriptors Computed from Structure

Canonical SMILES:

CC(C=CC1=CC=C(C=C1)F)N2C=NC=N2.[N+](=O)([O-])[O-]

Isomeric SMILES

CC(/C=C/C1=CC=C(C=C1)F)N2C=NC=N2.[N+](=O)([O-])[O-]

InChI

InChI=1S/C12H12FN3.NO3/c1-10(16-9-14-8-15-16)2-3-11-4-6-12(13)7-5-11;2-1(3)4/h2-10H,1H3;/q;-1/b3-2+;