N-heptan-2-yl-2-morpholin-4-yl-5-nitro-benzamide

Systemtic Name: N-heptan-2-yl-2-morpholin-4-yl-5-nitro-benzamide Openeye Name: N-(1-methylhexyl)-2-morpholino-5-nitro-benzamide CAS Name: N-heptan-2-yl-2-(4-morpholinyl)-5-nitrobenzamide IUPAC Name: N-heptan-2-yl-2-morpholin-4-yl-5-nitrobenzamide Traditional Name: N-(1-methylhexyl)-2-morpholino-5-nitro-benzamide Formula: C18H27N3O4 MolecularWeight: 349.42468

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)NC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])N2CCOCC2

Isomeric SMILES

CCCCCC(C)NC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])N2CCOCC2

InChI

InChI=1S/C18H27N3O4/c1-3-4-5-6-14(2)19-18(22)16-13-15(21(23)24)7-8-17(16)20-9-11-25-12-10-20/h7-8,13-14H,3-6,9-12H2,1-2H3,(H,19,22)