N-heptan-2-yl-4-imidazol-1-yl-3-nitro-benzamide

Systemtic Name: N-heptan-2-yl-4-imidazol-1-yl-3-nitro-benzamide Openeye Name: 4-imidazol-1-yl-N-(1-methylhexyl)-3-nitro-benzamide CAS Name: N-heptan-2-yl-4-(1-imidazolyl)-3-nitrobenzamide IUPAC Name: N-heptan-2-yl-4-imidazol-1-yl-3-nitrobenzamide Traditional Name: 4-imidazol-1-yl-N-(1-methylhexyl)-3-nitro-benzamide Formula: C17H22N4O3 MolecularWeight: 330.38158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N4O3/c1-3-4-5-6-13(2)19-17(22)14-7-8-15(16(11-14)21(23)24)20-10-9-18-12-20/h7-13H,3-6H2,1-2H3,(H,19,22)