3,5-dinitro-N-[(2S)-4-phenylbutan-2-yl]benzamide

Systemtic Name: 3,5-dinitro-N-[(2S)-4-phenylbutan-2-yl]benzamide Openeye Name: N-[(1S)-1-methyl-3-phenyl-propyl]-3,5-dinitro-benzamide CAS Name: 3,5-dinitro-N-[(2S)-4-phenylbutan-2-yl]benzamide IUPAC Name: 3,5-dinitro-N-[(2S)-4-phenylbutan-2-yl]benzamide Traditional Name: N-[(1S)-1-methyl-3-phenyl-propyl]-3,5-dinitro-benzamide Formula: C17H17N3O5 MolecularWeight: 343.33398

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C[C@@H](CCC1=CC=CC=C1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H17N3O5/c1-12(7-8-13-5-3-2-4-6-13)18-17(21)14-9-15(19(22)23)11-16(10-14)20(24)25/h2-6,9-12H,7-8H2,1H3,(H,18,21)/t12-/m0/s1