N-[(E)-heptan-3-ylideneamino]-3,5-dinitro-benzamide

Systemtic Name: N-[(E)-heptan-3-ylideneamino]-3,5-dinitro-benzamide Openeye Name: N-[(E)-1-ethylpentylideneamino]-3,5-dinitro-benzamide CAS Name: N-[(E)-heptan-3-ylideneamino]-3,5-dinitrobenzamide IUPAC Name: N-[(E)-heptan-3-ylideneamino]-3,5-dinitrobenzamide Traditional Name: N-[(E)-1-ethylpentylideneamino]-3,5-dinitro-benzamide Formula: C14H18N4O5 MolecularWeight: 322.31652

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=NNC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])CC

Isomeric SMILES

CCCC/C(=N/NC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])/CC

InChI

InChI=1S/C14H18N4O5/c1-3-5-6-11(4-2)15-16-14(19)10-7-12(17(20)21)9-13(8-10)18(22)23/h7-9H,3-6H2,1-2H3,(H,16,19)/b15-11+