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

Systemtic Name: 3-[2-(5-nitro-2-phenylmethoxy-phenyl)ethyl]-1-(1,2,3,4-tetrazol-2-yl)pyridin-2-one Openeye Name: 3-[2-(2-benzyloxy-5-nitro-phenyl)ethyl]-1-(tetrazol-2-yl)pyridin-2-one CAS Name: 3-[2-(5-nitro-2-phenylmethoxyphenyl)ethyl]-1-(2-tetrazolyl)-2-pyridinone IUPAC Name: 3-[2-(5-nitro-2-phenylmethoxyphenyl)ethyl]-1-(tetrazol-2-yl)pyridin-2-one Traditional Name: 3-[2-(2-benzoxy-5-nitro-phenyl)ethyl]-1-(tetrazol-2-yl)-2-pyridone Formula: C21H18N6O4 MolecularWeight: 418.40542

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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=CC=CN(C3=O)N4N=CN=N4

Isomeric SMILES

C1=CC=C(C=C1)COC2=C(C=C(C=C2)[N+](=O)[O-])CCC3=CC=CN(C3=O)N4N=CN=N4

InChI

InChI=1S/C21H18N6O4/c28-21-17(7-4-12-25(21)27-23-15-22-24-27)8-9-18-13-19(26(29)30)10-11-20(18)31-14-16-5-2-1-3-6-16/h1-7,10-13,15H,8-9,14H2