4-nitro-N1,N2-bis[4-(pyridin-3-ylmethylcarbamoyl)phenyl]benzene-1,2-dicarboxamide

Systemtic Name: 4-nitro-N1,N2-bis[4-(pyridin-3-ylmethylcarbamoyl)phenyl]benzene-1,2-dicarboxamide Openeye Name: 4-nitro-N1,N2-bis[4-(3-pyridylmethylcarbamoyl)phenyl]phthalamide CAS Name: 4-nitro-N1,N2-bis[4-[oxo-(3-pyridinylmethylamino)methyl]phenyl]benzene-1,2-dicarboxamide IUPAC Name: 4-nitro-1-N,2-N-bis[4-(pyridin-3-ylmethylcarbamoyl)phenyl]benzene-1,2-dicarboxamide Traditional Name: 4-nitro-N,N'-bis[4-(3-pyridylmethylcarbamoyl)phenyl]phthalamide Formula: C34H27N7O6 MolecularWeight: 629.62148

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CNC(=O)C2=CC=C(C=C2)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)NC4=CC=C(C=C4)C(=O)NCC5=CN=CC=C5

Isomeric SMILES

C1=CC(=CN=C1)CNC(=O)C2=CC=C(C=C2)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)NC4=CC=C(C=C4)C(=O)NCC5=CN=CC=C5

InChI

InChI=1S/C34H27N7O6/c42-31(37-20-22-3-1-15-35-18-22)24-5-9-26(10-6-24)39-33(44)29-14-13-28(41(46)47)17-30(29)34(45)40-27-11-7-25(8-12-27)32(43)38-21-23-4-2-16-36-19-23/h1-19H,20-21H2,(H,37,42)(H,38,43)(H,39,44)(H,40,45)