N-butyl-3-(1-methyl-5-nitro-imidazol-2-yl)-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide

Systemtic Name: N-butyl-3-(1-methyl-5-nitro-imidazol-2-yl)-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide Openeye Name: N-butyl-3-(1-methyl-5-nitro-imidazol-2-yl)-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide CAS Name: N-butyl-3-(1-methyl-5-nitro-2-imidazolyl)-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide IUPAC Name: N-butyl-3-(1-methyl-5-nitroimidazol-2-yl)-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide Traditional Name: N-butyl-3-(1-methyl-5-nitro-imidazol-2-yl)-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide Formula: C14H16N8O3 MolecularWeight: 344.32864

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=NN2C(=NN=C2C3=NC=C(N3C)[N+](=O)[O-])C=C1

Isomeric SMILES

CCCCNC(=O)C1=NN2C(=NN=C2C3=NC=C(N3C)[N+](=O)[O-])C=C1

InChI

InChI=1S/C14H16N8O3/c1-3-4-7-15-14(23)9-5-6-10-17-18-13(21(10)19-9)12-16-8-11(20(12)2)22(24)25/h5-6,8H,3-4,7H2,1-2H3,(H,15,23)