N1,N3-bis(3-ethynylphenyl)-5-[(4-nitrophenyl)carbonylamino]benzene-1,3-dicarboxamide

Systemtic Name: N1,N3-bis(3-ethynylphenyl)-5-[(4-nitrophenyl)carbonylamino]benzene-1,3-dicarboxamide Openeye Name: N1,N3-bis(3-ethynylphenyl)-5-[(4-nitrobenzoyl)amino]benzene-1,3-dicarboxamide CAS Name: N1,N3-bis(3-ethynylphenyl)-5-[[(4-nitrophenyl)-oxomethyl]amino]benzene-1,3-dicarboxamide IUPAC Name: 1-N,3-N-bis(3-ethynylphenyl)-5-[(4-nitrobenzoyl)amino]benzene-1,3-dicarboxamide Traditional Name: N,N'-bis(3-ethynylphenyl)-5-[(4-nitrobenzoyl)amino]isophthalamide Formula: C31H20N4O5 MolecularWeight: 528.5143

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC=C1)NC(=O)C2=CC(=CC(=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)NC4=CC=CC(=C4)C#C

Isomeric SMILES

C#CC1=CC(=CC=C1)NC(=O)C2=CC(=CC(=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)NC4=CC=CC(=C4)C#C

InChI

InChI=1S/C31H20N4O5/c1-3-20-7-5-9-25(15-20)32-30(37)23-17-24(31(38)33-26-10-6-8-21(4-2)16-26)19-27(18-23)34-29(36)22-11-13-28(14-12-22)35(39)40/h1-2,5-19H,(H,32,37)(H,33,38)(H,34,36)