N,N-bis(cyanomethyl)-3,5-dinitro-benzamide

Systemtic Name: N,N-bis(cyanomethyl)-3,5-dinitro-benzamide Openeye Name: N,N-bis(cyanomethyl)-3,5-dinitro-benzamide CAS Name: N,N-bis(cyanomethyl)-3,5-dinitrobenzamide IUPAC Name: N,N-bis(cyanomethyl)-3,5-dinitrobenzamide Traditional Name: N,N-bis(cyanomethyl)-3,5-dinitro-benzamide Formula: C11H7N5O5 MolecularWeight: 289.20378

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(=O)N(CC#N)CC#N

Isomeric SMILES

C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(=O)N(CC#N)CC#N

InChI

InChI=1S/C11H7N5O5/c12-1-3-14(4-2-13)11(17)8-5-9(15(18)19)7-10(6-8)16(20)21/h5-7H,3-4H2