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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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