N-[2,2-dinitro-3-[(phenylmethyl)amino]propyl]benzamide

Systemtic Name: N-[2,2-dinitro-3-[(phenylmethyl)amino]propyl]benzamide Openeye Name: N-[3-(benzylamino)-2,2-dinitro-propyl]benzamide CAS Name: N-[2,2-dinitro-3-[(phenylmethyl)amino]propyl]benzamide IUPAC Name: N-[3-(benzylamino)-2,2-dinitropropyl]benzamide Traditional Name: N-[3-(benzylamino)-2,2-dinitro-propyl]benzamide Formula: C17H18N4O5 MolecularWeight: 358.34862

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNCC(CNC(=O)C2=CC=CC=C2)([N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CNCC(CNC(=O)C2=CC=CC=C2)([N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H18N4O5/c22-16(15-9-5-2-6-10-15)19-13-17(20(23)24,21(25)26)12-18-11-14-7-3-1-4-8-14/h1-10,18H,11-13H2,(H,19,22)