3,5-dinitro-N-[(E)-1-phenylbutan-2-ylideneamino]benzamide

Systemtic Name: 3,5-dinitro-N-[(E)-1-phenylbutan-2-ylideneamino]benzamide Openeye Name: N-[(E)-1-benzylpropylideneamino]-3,5-dinitro-benzamide CAS Name: 3,5-dinitro-N-[(E)-1-phenylbutan-2-ylideneamino]benzamide IUPAC Name: 3,5-dinitro-N-[(E)-1-phenylbutan-2-ylideneamino]benzamide Traditional Name: N-[(E)-1-benzylpropylideneamino]-3,5-dinitro-benzamide Formula: C17H16N4O5 MolecularWeight: 356.33274

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=NNC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])CC2=CC=CC=C2

Isomeric SMILES

CC/C(=N\NC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])/CC2=CC=CC=C2

InChI

InChI=1S/C17H16N4O5/c1-2-14(8-12-6-4-3-5-7-12)18-19-17(22)13-9-15(20(23)24)11-16(10-13)21(25)26/h3-7,9-11H,2,8H2,1H3,(H,19,22)/b18-14+