N-(4-chlorophenyl)-3,5-dinitro-2-(3-oxidanylpropylamino)benzamide

Systemtic Name: N-(4-chlorophenyl)-3,5-dinitro-2-(3-oxidanylpropylamino)benzamide Openeye Name: N-(4-chlorophenyl)-2-(3-hydroxypropylamino)-3,5-dinitro-benzamide CAS Name: N-(4-chlorophenyl)-2-(3-hydroxypropylamino)-3,5-dinitrobenzamide IUPAC Name: N-(4-chlorophenyl)-2-(3-hydroxypropylamino)-3,5-dinitrobenzamide Traditional Name: N-(4-chlorophenyl)-2-(3-hydroxypropylamino)-3,5-dinitro-benzamide Formula: C16H15ClN4O6 MolecularWeight: 394.7665

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)C2=CC(=CC(=C2NCCCO)[N+](=O)[O-])[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=CC=C1NC(=O)C2=CC(=CC(=C2NCCCO)[N+](=O)[O-])[N+](=O)[O-])Cl

InChI

InChI=1S/C16H15ClN4O6/c17-10-2-4-11(5-3-10)19-16(23)13-8-12(20(24)25)9-14(21(26)27)15(13)18-6-1-7-22/h2-5,8-9,18,22H,1,6-7H2,(H,19,23)