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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N3O5/c1-3-11(2)12-4-6-14(7-5-12)18-17(21)13-8-15(19(22)23)10-16(9-13)20(24)25/h4-11H,3H2,1-2H3,(H,18,21)/t11-/m0/s1