5-bromanyl-1-methyl-4-[2-(5-nitro-2-phenylmethoxy-phenyl)ethyl]-3-(2H-1,2,3,4-tetrazol-5-yl)pyridin-2-one

Systemtic Name: 5-bromanyl-1-methyl-4-[2-(5-nitro-2-phenylmethoxy-phenyl)ethyl]-3-(2H-1,2,3,4-tetrazol-5-yl)pyridin-2-one Openeye Name: 4-[2-(2-benzyloxy-5-nitro-phenyl)ethyl]-5-bromo-1-methyl-3-(2H-tetrazol-5-yl)pyridin-2-one CAS Name: 5-bromo-1-methyl-4-[2-(5-nitro-2-phenylmethoxyphenyl)ethyl]-3-(2H-tetrazol-5-yl)-2-pyridinone IUPAC Name: 5-bromo-1-methyl-4-[2-(5-nitro-2-phenylmethoxyphenyl)ethyl]-3-(2H-tetrazol-5-yl)pyridin-2-one Traditional Name: 4-[2-(2-benzoxy-5-nitro-phenyl)ethyl]-5-bromo-1-methyl-3-(2H-tetrazol-5-yl)-2-pyridone Formula: C22H19BrN6O4 MolecularWeight: 511.32806

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=C(C1=O)C2=NNN=N2)CCC3=C(C=CC(=C3)[N+](=O)[O-])OCC4=CC=CC=C4)Br

Isomeric SMILES

CN1C=C(C(=C(C1=O)C2=NNN=N2)CCC3=C(C=CC(=C3)[N+](=O)[O-])OCC4=CC=CC=C4)Br

InChI

InChI=1S/C22H19BrN6O4/c1-28-12-18(23)17(20(22(28)30)21-24-26-27-25-21)9-7-15-11-16(29(31)32)8-10-19(15)33-13-14-5-3-2-4-6-14/h2-6,8,10-12H,7,9,13H2,1H3,(H,24,25,26,27)