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

Systemtic Name: N-(2-butyl-1,2,3,4-tetrazol-5-yl)-3-nitro-benzamide Openeye Name: N-(2-butyltetrazol-5-yl)-3-nitro-benzamide CAS Name: N-(2-butyl-5-tetrazolyl)-3-nitrobenzamide IUPAC Name: N-(2-butyltetrazol-5-yl)-3-nitrobenzamide Traditional Name: N-(2-butyltetrazol-5-yl)-3-nitro-benzamide Formula: C12H14N6O3 MolecularWeight: 290.27796

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N6O3/c1-2-3-7-17-15-12(14-16-17)13-11(19)9-5-4-6-10(8-9)18(20)21/h4-6,8H,2-3,7H2,1H3,(H,13,15,19)