N1,N3-bis(cyanomethyl)-5-nitro-benzene-1,3-dicarboxamide

Systemtic Name: N1,N3-bis(cyanomethyl)-5-nitro-benzene-1,3-dicarboxamide Openeye Name: N1,N3-bis(cyanomethyl)-5-nitro-benzene-1,3-dicarboxamide CAS Name: N1,N3-bis(cyanomethyl)-5-nitrobenzene-1,3-dicarboxamide IUPAC Name: 1-N,3-N-bis(cyanomethyl)-5-nitrobenzene-1,3-dicarboxamide Traditional Name: N,N'-bis(cyanomethyl)-5-nitro-isophthalamide Formula: C12H9N5O4 MolecularWeight: 287.23096

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1C(=O)NCC#N)[N+](=O)[O-])C(=O)NCC#N

Isomeric SMILES

C1=C(C=C(C=C1C(=O)NCC#N)[N+](=O)[O-])C(=O)NCC#N

InChI

InChI=1S/C12H9N5O4/c13-1-3-15-11(18)8-5-9(12(19)16-4-2-14)7-10(6-8)17(20)21/h5-7H,3-4H2,(H,15,18)(H,16,19)