N-(2-chloranyl-5-nitro-phenyl)-1-[(3-nitro-1,2,4-triazol-1-yl)methyl]pyrazole-3-carboxamide

Systemtic Name: N-(2-chloranyl-5-nitro-phenyl)-1-[(3-nitro-1,2,4-triazol-1-yl)methyl]pyrazole-3-carboxamide Openeye Name: N-(2-chloro-5-nitro-phenyl)-1-[(3-nitro-1,2,4-triazol-1-yl)methyl]pyrazole-3-carboxamide CAS Name: N-(2-chloro-5-nitrophenyl)-1-[(3-nitro-1,2,4-triazol-1-yl)methyl]-3-pyrazolecarboxamide IUPAC Name: N-(2-chloro-5-nitrophenyl)-1-[(3-nitro-1,2,4-triazol-1-yl)methyl]pyrazole-3-carboxamide Traditional Name: N-(2-chloro-5-nitro-phenyl)-1-[(3-nitro-1,2,4-triazol-1-yl)methyl]pyrazole-3-carboxamide Formula: C13H9ClN8O5 MolecularWeight: 392.71416

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])NC(=O)C2=NN(C=C2)CN3C=NC(=N3)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])NC(=O)C2=NN(C=C2)CN3C=NC(=N3)[N+](=O)[O-])Cl

InChI

InChI=1S/C13H9ClN8O5/c14-9-2-1-8(21(24)25)5-11(9)16-12(23)10-3-4-19(17-10)7-20-6-15-13(18-20)22(26)27/h1-6H,7H2,(H,16,23)