N-[(2S)-5-methylhexan-2-yl]-2-morpholin-4-yl-5-nitro-benzamide

Systemtic Name: N-[(2S)-5-methylhexan-2-yl]-2-morpholin-4-yl-5-nitro-benzamide Openeye Name: N-[(1S)-1,4-dimethylpentyl]-2-morpholino-5-nitro-benzamide CAS Name: N-[(2S)-5-methylhexan-2-yl]-2-(4-morpholinyl)-5-nitrobenzamide IUPAC Name: N-[(2S)-5-methylhexan-2-yl]-2-morpholin-4-yl-5-nitrobenzamide Traditional Name: N-[(1S)-1,4-dimethylpentyl]-2-morpholino-5-nitro-benzamide Formula: C18H27N3O4 MolecularWeight: 349.42468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@H](CCC(C)C)NC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])N2CCOCC2

InChI

InChI=1S/C18H27N3O4/c1-13(2)4-5-14(3)19-18(22)16-12-15(21(23)24)6-7-17(16)20-8-10-25-11-9-20/h6-7,12-14H,4-5,8-11H2,1-3H3,(H,19,22)/t14-/m0/s1