2-[3-(2-chloroethyl)-4,5-dihydro-1,2,3-triazol-3-ium-1-yl]-5-nitro-benzamide

Systemtic Name: 2-[3-(2-chloroethyl)-4,5-dihydro-1,2,3-triazol-3-ium-1-yl]-5-nitro-benzamide Openeye Name: 2-[3-(2-chloroethyl)-4,5-dihydrotriazol-3-ium-1-yl]-5-nitro-benzamide CAS Name: 2-[3-(2-chloroethyl)-4,5-dihydrotriazol-3-ium-1-yl]-5-nitrobenzamide IUPAC Name: 2-[3-(2-chloroethyl)-4,5-dihydrotriazol-3-ium-1-yl]-5-nitrobenzamide Traditional Name: 2-[3-(2-chloroethyl)-4,5-dihydrotriazol-3-ium-1-yl]-5-nitro-benzamide Formula: C11H13ClN5O3+ MolecularWeight: 298.70562

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](=NN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)N)CCCl

Isomeric SMILES

C1C[N+](=NN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)N)CCCl

InChI

InChI=1S/C11H12ClN5O3/c12-3-4-15-5-6-16(14-15)10-2-1-8(17(19)20)7-9(10)11(13)18/h1-2,7H,3-6H2,(H-,13,18)/p+1