4-butyl-N-[3-(2H-1,2,3,4-tetrazol-5-yl)phenyl]benzenecarboximidate

Systemtic Name: 4-butyl-N-[3-(2H-1,2,3,4-tetrazol-5-yl)phenyl]benzenecarboximidate Openeye Name: 4-butyl-N-[3-(2H-tetrazol-5-yl)phenyl]benzenecarboximidate CAS Name: 4-butyl-N-[3-(2H-tetrazol-5-yl)phenyl]benzenecarboximidate IUPAC Name: 4-butyl-N-[3-(2H-tetrazol-5-yl)phenyl]benzenecarboximidate Traditional Name: 4-butyl-N-[3-(2H-tetrazol-5-yl)phenyl]benzenecarboximidate Formula: C18H18N5O- MolecularWeight: 320.36842

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=NC2=CC=CC(=C2)C3=NNN=N3)[O-]

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=NC2=CC=CC(=C2)C3=NNN=N3)[O-]

InChI

InChI=1S/C18H19N5O/c1-2-3-5-13-8-10-14(11-9-13)18(24)19-16-7-4-6-15(12-16)17-20-22-23-21-17/h4,6-12H,2-3,5H2,1H3,(H,19,24)(H,20,21,22,23)/p-1