N,N-bis(2-cyanoethyl)-3,5-dinitro-benzamide

Systemtic Name: N,N-bis(2-cyanoethyl)-3,5-dinitro-benzamide Openeye Name: N,N-bis(2-cyanoethyl)-3,5-dinitro-benzamide CAS Name: N,N-bis(2-cyanoethyl)-3,5-dinitrobenzamide IUPAC Name: N,N-bis(2-cyanoethyl)-3,5-dinitrobenzamide Traditional Name: N,N-bis(2-cyanoethyl)-3,5-dinitro-benzamide Formula: C13H11N5O5 MolecularWeight: 317.25694

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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(CCC#N)CCC#N

Isomeric SMILES

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

InChI

InChI=1S/C13H11N5O5/c14-3-1-5-16(6-2-4-15)13(19)10-7-11(17(20)21)9-12(8-10)18(22)23/h7-9H,1-2,5-6H2