N-[4-(2-methylpropanoylamino)phenyl]-3,5-dinitro-benzamide

Systemtic Name: N-[4-(2-methylpropanoylamino)phenyl]-3,5-dinitro-benzamide Openeye Name: N-[4-(2-methylpropanoylamino)phenyl]-3,5-dinitro-benzamide CAS Name: N-[4-[(2-methyl-1-oxopropyl)amino]phenyl]-3,5-dinitrobenzamide IUPAC Name: N-[4-(2-methylpropanoylamino)phenyl]-3,5-dinitrobenzamide Traditional Name: N-[4-(isobutyrylamino)phenyl]-3,5-dinitro-benzamide Formula: C17H16N4O6 MolecularWeight: 372.33214

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC=C(C=C1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(C)C(=O)NC1=CC=C(C=C1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H16N4O6/c1-10(2)16(22)18-12-3-5-13(6-4-12)19-17(23)11-7-14(20(24)25)9-15(8-11)21(26)27/h3-10H,1-2H3,(H,18,22)(H,19,23)