N-[4-methyl-3-(propanoylamino)phenyl]-3,5-dinitro-benzamide

Systemtic Name: N-[4-methyl-3-(propanoylamino)phenyl]-3,5-dinitro-benzamide Openeye Name: N-[4-methyl-3-(propanoylamino)phenyl]-3,5-dinitro-benzamide CAS Name: N-[4-methyl-3-(1-oxopropylamino)phenyl]-3,5-dinitrobenzamide IUPAC Name: N-[4-methyl-3-(propanoylamino)phenyl]-3,5-dinitrobenzamide Traditional Name: N-(4-methyl-3-propionamido-phenyl)-3,5-dinitro-benzamide Formula: C17H16N4O6 MolecularWeight: 372.33214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N4O6/c1-3-16(22)19-15-8-12(5-4-10(15)2)18-17(23)11-6-13(20(24)25)9-14(7-11)21(26)27/h4-9H,3H2,1-2H3,(H,18,23)(H,19,22)