N-hexyl-4-imidazol-1-yl-3-nitro-benzamide

Systemtic Name: N-hexyl-4-imidazol-1-yl-3-nitro-benzamide Openeye Name: N-hexyl-4-imidazol-1-yl-3-nitro-benzamide CAS Name: N-hexyl-4-(1-imidazolyl)-3-nitrobenzamide IUPAC Name: N-hexyl-4-imidazol-1-yl-3-nitrobenzamide Traditional Name: N-hexyl-4-imidazol-1-yl-3-nitro-benzamide Formula: C16H20N4O3 MolecularWeight: 316.355

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)C1=CC(=C(C=C1)N2C=CN=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCCCNC(=O)C1=CC(=C(C=C1)N2C=CN=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H20N4O3/c1-2-3-4-5-8-18-16(21)13-6-7-14(15(11-13)20(22)23)19-10-9-17-12-19/h6-7,9-12H,2-5,8H2,1H3,(H,18,21)