N-hexyl-3-nitro-4-(1,2,4-triazol-1-yl)benzamide

Systemtic Name: N-hexyl-3-nitro-4-(1,2,4-triazol-1-yl)benzamide Openeye Name: N-hexyl-3-nitro-4-(1,2,4-triazol-1-yl)benzamide CAS Name: N-hexyl-3-nitro-4-(1,2,4-triazol-1-yl)benzamide IUPAC Name: N-hexyl-3-nitro-4-(1,2,4-triazol-1-yl)benzamide Traditional Name: N-hexyl-3-nitro-4-(1,2,4-triazol-1-yl)benzamide Formula: C15H19N5O3 MolecularWeight: 317.34306

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)C1=CC(=C(C=C1)N2C=NC=N2)[N+](=O)[O-]

Isomeric SMILES

CCCCCCNC(=O)C1=CC(=C(C=C1)N2C=NC=N2)[N+](=O)[O-]

InChI

InChI=1S/C15H19N5O3/c1-2-3-4-5-8-17-15(21)12-6-7-13(14(9-12)20(22)23)19-11-16-10-18-19/h6-7,9-11H,2-5,8H2,1H3,(H,17,21)