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

Systemtic Name: N-(2-butyl-1,2,3,4-tetrazol-5-yl)-2-chloranyl-4-nitro-benzamide Openeye Name: N-(2-butyltetrazol-5-yl)-2-chloro-4-nitro-benzamide CAS Name: N-(2-butyl-5-tetrazolyl)-2-chloro-4-nitrobenzamide IUPAC Name: N-(2-butyltetrazol-5-yl)-2-chloro-4-nitrobenzamide Traditional Name: N-(2-butyltetrazol-5-yl)-2-chloro-4-nitro-benzamide Formula: C12H13ClN6O3 MolecularWeight: 324.72302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13ClN6O3/c1-2-3-6-18-16-12(15-17-18)14-11(20)9-5-4-8(19(21)22)7-10(9)13/h4-5,7H,2-3,6H2,1H3,(H,14,16,20)