2-nitro-N-[3-(2H-1,2,3,4-tetrazol-3-ium-3-yl)propyl]benzamide

Systemtic Name: 2-nitro-N-[3-(2H-1,2,3,4-tetrazol-3-ium-3-yl)propyl]benzamide Openeye Name: 2-nitro-N-[3-(2H-tetrazol-3-ium-3-yl)propyl]benzamide CAS Name: 2-nitro-N-[3-(2H-tetrazol-3-ium-3-yl)propyl]benzamide IUPAC Name: 2-nitro-N-[3-(2H-tetrazol-3-ium-3-yl)propyl]benzamide Traditional Name: 2-nitro-N-[3-(2H-tetrazol-3-ium-3-yl)propyl]benzamide Formula: C11H13N6O3+ MolecularWeight: 277.25932

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NCCC[N+]2=NC=NN2)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NCCC[N+]2=NC=NN2)[N+](=O)[O-]

InChI

InChI=1S/C11H12N6O3/c18-11(9-4-1-2-5-10(9)17(19)20)12-6-3-7-16-14-8-13-15-16/h1-2,4-5,8H,3,6-7H2,(H,12,18)/p+1