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

Systemtic Name: N-(2-butyl-1,2,3,4-tetrazol-5-yl)-2-nitro-benzamide Openeye Name: N-(2-butyltetrazol-5-yl)-2-nitro-benzamide CAS Name: N-(2-butyl-5-tetrazolyl)-2-nitrobenzamide IUPAC Name: N-(2-butyltetrazol-5-yl)-2-nitrobenzamide Traditional Name: N-(2-butyltetrazol-5-yl)-2-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/c1-2-3-8-17-15-12(14-16-17)13-11(19)9-6-4-5-7-10(9)18(20)21/h4-7H,2-3,8H2,1H3,(H,13,15,19)