N-[(2S)-2-ethylhexyl]-N'-(4-nitrophenyl)butanediamide

Systemtic Name: N-[(2S)-2-ethylhexyl]-N'-(4-nitrophenyl)butanediamide Openeye Name: N-[(2S)-2-ethylhexyl]-N'-(4-nitrophenyl)butanediamide CAS Name: N-[(2S)-2-ethylhexyl]-N'-(4-nitrophenyl)butanediamide IUPAC Name: N-[(2S)-2-ethylhexyl]-N'-(4-nitrophenyl)butanediamide Traditional Name: N-[(2S)-2-ethylhexyl]-N'-(4-nitrophenyl)succinamide Formula: C18H27N3O4 MolecularWeight: 349.42468

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CNC(=O)CCC(=O)NC1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3O4/c1-3-5-6-14(4-2)13-19-17(22)11-12-18(23)20-15-7-9-16(10-8-15)21(24)25/h7-10,14H,3-6,11-13H2,1-2H3,(H,19,22)(H,20,23)/t14-/m0/s1