1-butyl-5-[[2-(4-methoxyphenyl)-4-nitro-phenoxy]methyl]-1,2,3,4-tetrazole

Systemtic Name: 1-butyl-5-[[2-(4-methoxyphenyl)-4-nitro-phenoxy]methyl]-1,2,3,4-tetrazole Openeye Name: 1-butyl-5-[[2-(4-methoxyphenyl)-4-nitro-phenoxy]methyl]tetrazole CAS Name: 1-butyl-5-[[2-(4-methoxyphenyl)-4-nitrophenoxy]methyl]tetrazole IUPAC Name: 1-butyl-5-[[2-(4-methoxyphenyl)-4-nitrophenoxy]methyl]tetrazole Traditional Name: 1-butyl-5-[[2-(4-methoxyphenyl)-4-nitro-phenoxy]methyl]tetrazole Formula: C19H21N5O4 MolecularWeight: 383.40114

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=N1)COC2=C(C=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)OC

Isomeric SMILES

CCCCN1C(=NN=N1)COC2=C(C=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)OC

InChI

InChI=1S/C19H21N5O4/c1-3-4-11-23-19(20-21-22-23)13-28-18-10-7-15(24(25)26)12-17(18)14-5-8-16(27-2)9-6-14/h5-10,12H,3-4,11,13H2,1-2H3