2-nitro-N1,N4-bis[3-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]benzene-1,4-dicarboxamide

Systemtic Name: 2-nitro-N1,N4-bis[3-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]benzene-1,4-dicarboxamide Openeye Name: 2-nitro-N1,N4-bis[3-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]terephthalamide CAS Name: 2-nitro-N1,N4-bis[3-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]benzene-1,4-dicarboxamide IUPAC Name: 2-nitro-1-N,4-N-bis[3-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]benzene-1,4-dicarboxamide Traditional Name: 2-nitro-N,N'-bis[3-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]terephthalamide Formula: C28H27N7O4 MolecularWeight: 525.55848

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC(=NC1)C2=CC(=CC=C2)NC(=O)C3=CC(=C(C=C3)C(=O)NC4=CC=CC(=C4)C5=NCCCN5)[N+](=O)[O-]

Isomeric SMILES

C1CNC(=NC1)C2=CC(=CC=C2)NC(=O)C3=CC(=C(C=C3)C(=O)NC4=CC=CC(=C4)C5=NCCCN5)[N+](=O)[O-]

InChI

InChI=1S/C28H27N7O4/c36-27(33-21-7-1-5-18(15-21)25-29-11-3-12-30-25)20-9-10-23(24(17-20)35(38)39)28(37)34-22-8-2-6-19(16-22)26-31-13-4-14-32-26/h1-2,5-10,15-17H,3-4,11-14H2,(H,29,30)(H,31,32)(H,33,36)(H,34,37)