3,5-dinitro-N-(2-phenyl-2-phenylazanyl-ethyl)benzamide

Systemtic Name: 3,5-dinitro-N-(2-phenyl-2-phenylazanyl-ethyl)benzamide Openeye Name: N-(2-anilino-2-phenyl-ethyl)-3,5-dinitro-benzamide CAS Name: N-(2-anilino-2-phenylethyl)-3,5-dinitrobenzamide IUPAC Name: N-(2-anilino-2-phenylethyl)-3,5-dinitrobenzamide Traditional Name: N-(2-anilino-2-phenyl-ethyl)-3,5-dinitro-benzamide Formula: C21H18N4O5 MolecularWeight: 406.39142

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CNC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])NC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C(CNC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])NC3=CC=CC=C3

InChI

InChI=1S/C21H18N4O5/c26-21(16-11-18(24(27)28)13-19(12-16)25(29)30)22-14-20(15-7-3-1-4-8-15)23-17-9-5-2-6-10-17/h1-13,20,23H,14H2,(H,22,26)