3,5-dinitro-N-[(2S)-1-phenylpropan-2-yl]benzamide

Systemtic Name: 3,5-dinitro-N-[(2S)-1-phenylpropan-2-yl]benzamide Openeye Name: N-[(1S)-1-methyl-2-phenyl-ethyl]-3,5-dinitro-benzamide CAS Name: 3,5-dinitro-N-[(2S)-1-phenylpropan-2-yl]benzamide IUPAC Name: 3,5-dinitro-N-[(2S)-1-phenylpropan-2-yl]benzamide Traditional Name: N-[(1S)-1-methyl-2-phenyl-ethyl]-3,5-dinitro-benzamide Formula: C16H15N3O5 MolecularWeight: 329.3074

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=CC=C1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C[C@@H](CC1=CC=CC=C1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H15N3O5/c1-11(7-12-5-3-2-4-6-12)17-16(20)13-8-14(18(21)22)10-15(9-13)19(23)24/h2-6,8-11H,7H2,1H3,(H,17,20)/t11-/m0/s1