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

Systemtic Name: N-(2-butyl-1,2,3,4-tetrazol-5-yl)-2-methyl-3-nitro-benzamide Openeye Name: N-(2-butyltetrazol-5-yl)-2-methyl-3-nitro-benzamide CAS Name: N-(2-butyl-5-tetrazolyl)-2-methyl-3-nitrobenzamide IUPAC Name: N-(2-butyltetrazol-5-yl)-2-methyl-3-nitrobenzamide Traditional Name: N-(2-butyltetrazol-5-yl)-2-methyl-3-nitro-benzamide Formula: C13H16N6O3 MolecularWeight: 304.30454

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N6O3/c1-3-4-8-18-16-13(15-17-18)14-12(20)10-6-5-7-11(9(10)2)19(21)22/h5-7H,3-4,8H2,1-2H3,(H,14,16,20)