N-(2-butyl-1,2,3,4-tetrazol-5-yl)-4-ethoxy-3-nitro-benzamide

Systemtic Name: N-(2-butyl-1,2,3,4-tetrazol-5-yl)-4-ethoxy-3-nitro-benzamide Openeye Name: N-(2-butyltetrazol-5-yl)-4-ethoxy-3-nitro-benzamide CAS Name: N-(2-butyl-5-tetrazolyl)-4-ethoxy-3-nitrobenzamide IUPAC Name: N-(2-butyltetrazol-5-yl)-4-ethoxy-3-nitrobenzamide Traditional Name: N-(2-butyltetrazol-5-yl)-4-ethoxy-3-nitro-benzamide Formula: C14H18N6O4 MolecularWeight: 334.33052

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1N=C(N=N1)NC(=O)C2=CC(=C(C=C2)OCC)[N+](=O)[O-]

Isomeric SMILES

CCCCN1N=C(N=N1)NC(=O)C2=CC(=C(C=C2)OCC)[N+](=O)[O-]

InChI

InChI=1S/C14H18N6O4/c1-3-5-8-19-17-14(16-18-19)15-13(21)10-6-7-12(24-4-2)11(9-10)20(22)23/h6-7,9H,3-5,8H2,1-2H3,(H,15,17,21)