2-[2-(5-nitro-2-phenylmethoxy-phenyl)ethyl]-5-(2H-1,2,3,4-tetrazol-5-yl)pyridine

Systemtic Name: 2-[2-(5-nitro-2-phenylmethoxy-phenyl)ethyl]-5-(2H-1,2,3,4-tetrazol-5-yl)pyridine Openeye Name: 2-[2-(2-benzyloxy-5-nitro-phenyl)ethyl]-5-(2H-tetrazol-5-yl)pyridine CAS Name: 2-[2-(5-nitro-2-phenylmethoxyphenyl)ethyl]-5-(2H-tetrazol-5-yl)pyridine IUPAC Name: 2-[2-(5-nitro-2-phenylmethoxyphenyl)ethyl]-5-(2H-tetrazol-5-yl)pyridine Traditional Name: 2-[2-(2-benzoxy-5-nitro-phenyl)ethyl]-5-(2H-tetrazol-5-yl)pyridine Formula: C21H18N6O3 MolecularWeight: 402.40602

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=C(C=C(C=C2)[N+](=O)[O-])CCC3=NC=C(C=C3)C4=NNN=N4

Isomeric SMILES

C1=CC=C(C=C1)COC2=C(C=C(C=C2)[N+](=O)[O-])CCC3=NC=C(C=C3)C4=NNN=N4

InChI

InChI=1S/C21H18N6O3/c28-27(29)19-10-11-20(30-14-15-4-2-1-3-5-15)16(12-19)6-8-18-9-7-17(13-22-18)21-23-25-26-24-21/h1-5,7,9-13H,6,8,14H2,(H,23,24,25,26)