2-[5-(4-butoxyphenyl)-1,2,3,4-tetrazol-2-yl]-N-(4-methoxy-2-nitro-phenyl)ethanamide

Systemtic Name: 2-[5-(4-butoxyphenyl)-1,2,3,4-tetrazol-2-yl]-N-(4-methoxy-2-nitro-phenyl)ethanamide Openeye Name: 2-[5-(4-butoxyphenyl)tetrazol-2-yl]-N-(4-methoxy-2-nitro-phenyl)acetamide CAS Name: 2-[5-(4-butoxyphenyl)-2-tetrazolyl]-N-(4-methoxy-2-nitrophenyl)acetamide IUPAC Name: 2-[5-(4-butoxyphenyl)tetrazol-2-yl]-N-(4-methoxy-2-nitrophenyl)acetamide Traditional Name: 2-[5-(4-butoxyphenyl)tetrazol-2-yl]-N-(4-methoxy-2-nitro-phenyl)acetamide Formula: C20H22N6O5 MolecularWeight: 426.42588

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2=NN(N=N2)CC(=O)NC3=C(C=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2=NN(N=N2)CC(=O)NC3=C(C=C(C=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C20H22N6O5/c1-3-4-11-31-15-7-5-14(6-8-15)20-22-24-25(23-20)13-19(27)21-17-10-9-16(30-2)12-18(17)26(28)29/h5-10,12H,3-4,11,13H2,1-2H3,(H,21,27)