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

Systemtic Name: N-[(2S)-butan-2-yl]-3,5-dinitro-benzamide Openeye Name: N-[(1S)-1-methylpropyl]-3,5-dinitro-benzamide CAS Name: N-[(2S)-butan-2-yl]-3,5-dinitrobenzamide IUPAC Name: N-[(2S)-butan-2-yl]-3,5-dinitrobenzamide Traditional Name: N-[(1S)-1-methylpropyl]-3,5-dinitro-benzamide Formula: C11H13N3O5 MolecularWeight: 267.23802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13N3O5/c1-3-7(2)12-11(15)8-4-9(13(16)17)6-10(5-8)14(18)19/h4-7H,3H2,1-2H3,(H,12,15)/t7-/m0/s1