N1,N3-bis[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]-5-nitro-benzene-1,3-dicarboxamide chloride

Systemtic Name: N1,N3-bis[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]-5-nitro-benzene-1,3-dicarboxamide chloride Openeye Name: N1,N3-bis[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]-5-nitro-benzene-1,3-dicarboxamide chloride CAS Name: N1,N3-bis[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]-5-nitrobenzene-1,3-dicarboxamide chloride IUPAC Name: 1-N,3-N-bis[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]-5-nitrobenzene-1,3-dicarboxamide chloride Traditional Name: N,N'-bis[4-(2-imidazolin-2-ylamino)phenyl]-5-nitro-isophthalamide chloride Formula: C26H25ClN9O4- MolecularWeight: 562.9876

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Descriptors Computed from Structure

Canonical SMILES:

C1CN=C(N1)NC2=CC=C(C=C2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)NC4=CC=C(C=C4)NC5=NCCN5.[Cl-]

Isomeric SMILES

C1CN=C(N1)NC2=CC=C(C=C2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)NC4=CC=C(C=C4)NC5=NCCN5.[Cl-]

InChI

InChI=1S/C26H25N9O4.ClH/c36-23(31-18-1-5-20(6-2-18)33-25-27-9-10-28-25)16-13-17(15-22(14-16)35(38)39)24(37)32-19-3-7-21(8-4-19)34-26-29-11-12-30-26;/h1-8,13-15H,9-12H2,(H,31,36)(H,32,37)(H2,27,28,33)(H2,29,30,34);1H/p-1