5-nitro-N1,N3-bis[4-(N,N,N'-trimethylcarbamimidoyl)phenyl]benzene-1,3-dicarboxamide

Systemtic Name: 5-nitro-N1,N3-bis[4-(N,N,N'-trimethylcarbamimidoyl)phenyl]benzene-1,3-dicarboxamide Openeye Name: 5-nitro-N1,N3-bis[4-(N,N,N'-trimethylcarbamimidoyl)phenyl]benzene-1,3-dicarboxamide CAS Name: N1,N3-bis[4-[dimethylamino(methylimino)methyl]phenyl]-5-nitrobenzene-1,3-dicarboxamide IUPAC Name: 5-nitro-1-N,3-N-bis[4-(N,N,N'-trimethylcarbamimidoyl)phenyl]benzene-1,3-dicarboxamide Traditional Name: 5-nitro-N,N'-bis[4-(N,N,N'-trimethylamidino)phenyl]isophthalamide Formula: C28H31N7O4 MolecularWeight: 529.59024

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Descriptors Computed from Structure

Canonical SMILES:

CN=C(C1=CC=C(C=C1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)NC3=CC=C(C=C3)C(=NC)N(C)C)N(C)C

Isomeric SMILES

CN=C(C1=CC=C(C=C1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)NC3=CC=C(C=C3)C(=NC)N(C)C)N(C)C

InChI

InChI=1S/C28H31N7O4/c1-29-25(33(3)4)18-7-11-22(12-8-18)31-27(36)20-15-21(17-24(16-20)35(38)39)28(37)32-23-13-9-19(10-14-23)26(30-2)34(5)6/h7-17H,1-6H3,(H,31,36)(H,32,37)