N'-[(2S)-heptan-2-yl]-N-(3-nitrophenyl)butanediamide

Systemtic Name: N'-[(2S)-heptan-2-yl]-N-(3-nitrophenyl)butanediamide Openeye Name: N'-[(1S)-1-methylhexyl]-N-(3-nitrophenyl)butanediamide CAS Name: N'-[(2S)-heptan-2-yl]-N-(3-nitrophenyl)butanediamide IUPAC Name: N'-[(2S)-heptan-2-yl]-N-(3-nitrophenyl)butanediamide Traditional Name: N'-[(1S)-1-methylhexyl]-N-(3-nitrophenyl)succinamide Formula: C17H25N3O4 MolecularWeight: 335.3981

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)NC(=O)CCC(=O)NC1=CC(=CC=C1)[N+](=O)[O-]

Isomeric SMILES

CCCCC[C@H](C)NC(=O)CCC(=O)NC1=CC(=CC=C1)[N+](=O)[O-]

InChI

InChI=1S/C17H25N3O4/c1-3-4-5-7-13(2)18-16(21)10-11-17(22)19-14-8-6-9-15(12-14)20(23)24/h6,8-9,12-13H,3-5,7,10-11H2,1-2H3,(H,18,21)(H,19,22)/t13-/m0/s1